Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C11H25N

Suppliers	Catalog Number
MP Biomedicals	05209782
Matrix Scientific	007507

Database	Data ID
PubChem	114476

M. W.

171.3229

CAS

13205-56-6

Similarity

N/A

ID: 10652

3-pentylpentane-2,4-dione

$$$$ Data

M. F.

C10H18O2

Suppliers	Catalog Number
Matrix Scientific	007508

Database	Data ID
PubChem	98194

M. W.

170.24872

CAS

27970-50-9

Similarity

N/A

ID: 10653

icosanoic acid

$$$$ Data More

M. F.

C20H40O2

Suppliers	Catalog Number
Sigma Aldrich	A3631 10930 10933
MP Biomedicals	02100718 05213945
Alfa Aesar	A19616

Database	Data ID
Wikipedia	Arachidic_acid
PubChem	10467

M. W.

312.5304

CAS

506-30-9

Similarity

N/A

ID: 10654

[3-(bromomethyl)phenyl](phenyl)methanone

$$$$ Data

M. F.

C14H11BrO

Suppliers	Catalog Number
Matrix Scientific	007510
TRC	B208050
Chemik	CHB00391

Database	Data ID
PubChem	89586

M. W.

275.14054

CAS

22071-24-5

Similarity

N/A

ID: 10655

cyclohexylcyclohexane

$$$$ Data More

M. F.

C12H22

Suppliers	Catalog Number
Sigma Aldrich	D79403
MP Biomedicals	05208333
Alfa Aesar	A13481

Database	Data ID
PubChem	7094

M. W.

166.30308

CAS

92-51-3

Similarity

N/A

ID: 10656

2-(1H-imidazol-2-yl)-1H-imidazole

$$$$ Data

M. F.

C6H6N4

Suppliers	Catalog Number
Matrix Scientific	007513

Database	Data ID
PubChem	101463

M. W.

134.13864

CAS

492-98-8

Similarity

N/A

ID: 10657

1-chloro-2-[(2-chloroethoxy)methoxy]ethane

$$$$ Data

M. F.

C5H10Cl2O2

Suppliers	Catalog Number
MP Biomedicals	05204180
Matrix Scientific	007514

Database	Data ID
PubChem	8147

M. W.

173.0377

CAS

111-91-1

Similarity

N/A

ID: 10658

10-bromodecanoic acid

$$$$ Data More

M. F.

C10H19BrO2

Suppliers	Catalog Number
Sigma Aldrich	541397
Matrix Scientific	007516
Apollo Scientific	OR14309

Database	Data ID
PubChem	142712

M. W.

251.16066

CAS

50530-12-6

Similarity

N/A

ID: 10659

2-bromo-2-ethylbutanoic acid

$$$$ Data

M. F.

C6H11BrO2

Suppliers	Catalog Number
MP Biomedicals	05201370
Matrix Scientific	007517

Database	Data ID
PubChem	220965

M. W.

195.05434

CAS

5456-23-5

Similarity

N/A

ID: 10660

7-bromoheptanoic acid

$$$$ Data More

M. F.

C7H13BrO2

Suppliers	Catalog Number
MP Biomedicals	05213820
Matrix Scientific	007518
Apollo Scientific	OR6483

Database	Data ID
PubChem	121723

M. W.

209.08092

CAS

30515-28-7

Similarity

N/A

ID: 10661

1-bromo-3-methoxypropane

$$$$ Data

M. F.

C4H9BrO

Suppliers	Catalog Number
Matrix Scientific	007519
Bide Pharmatech	BD57431
A&J Pharmtech	AJA-O1579

Database	Data ID
PubChem	524551

M. W.

153.01766

CAS

36865-41-5

Similarity

N/A

ID: 10662

2-(bromomethyl)benzoyl bromide

$$$$ Data

M. F.

C8H6Br2O

Suppliers	Catalog Number
Matrix Scientific	007520
Apollo Scientific	OR6440

Database	Data ID
PubChem	3866467

M. W.

277.94064

CAS

40819-28-1

Similarity

N/A

ID: 10663

3-(bromomethyl)benzoyl bromide

$$$$ Data

M. F.

C8H6Br2O

Suppliers	Catalog Number
Matrix Scientific	007521

Database	Data ID
PubChem	3847029

M. W.

277.94064

CAS

Similarity

N/A

ID: 10664

1-(bromomethyl)-3-phenylbenzene

$$$$ Data More

M. F.

C13H11Br

Suppliers	Catalog Number
Sigma Aldrich	538388
Matrix Scientific	007522
TRC	B685303

Database	Data ID
PubChem	3864405

M. W.

247.13044

CAS

14704-31-5

Similarity

N/A

ID: 10665

9-bromononanoic acid

$$$$ Data

M. F.

C9H17BrO2

Suppliers	Catalog Number
Matrix Scientific	007524
Apollo Scientific	OR1860
Bide Pharmatech	BD7076

Database	Data ID
PubChem	548221

M. W.

237.13408

CAS

41059-02-3

Similarity

N/A

ID: 10666

2-bromopentanoic acid

$$$$ Data More

M. F.

C5H9BrO2

Suppliers	Catalog Number
Sigma Aldrich	265136
MP Biomedicals	05204801
Alfa Aesar	L07047

Database	Data ID
PubChem	11446

M. W.

181.02776

CAS

584-93-0

Similarity

N/A

ID: 10667

(3-aminopropyl)(tert-butyl)amine

$$$$ Data

M. F.

C7H18N2

Suppliers	Catalog Number
Matrix Scientific	007526

Database	Data ID
PubChem	40274

M. W.

130.23122

CAS

52198-64-8

Similarity

N/A

ID: 10668

butyl(propyl)amine

$$$$ Data

M. F.

C7H17N

Suppliers	Catalog Number
Sigma Aldrich	478008
MP Biomedicals	05209798
Matrix Scientific	007527

Database	Data ID
PubChem	88399

M. W.

115.21658

CAS

20193-21-9

Similarity

N/A

ID: 10669

4-(bromomethyl)benzoic acid

$$$$ Data More

M. F.

C8H7BrO2

Suppliers	Catalog Number
Sigma Aldrich	159549 18520
MP Biomedicals	05213800
Alfa Aesar	L03371

Database	Data ID
PubChem	22599

M. W.

215.04398

CAS

6232-88-8

Similarity

N/A

ID: 10670

(2-chlorophenyl)methanamine

$$$$ Data More

M. F.

C7H8ClN

Suppliers	Catalog Number
Sigma Aldrich	C27204
Alfa Aesar	A15594
Matrix Scientific	007530

Database	Data ID
PubChem	66648

M. W.

141.59812

CAS

89-97-4

Similarity

N/A

ID: 10671

2-chloro-N,N-dimethylaniline

$$$$ Data

M. F.

C8H10ClN

Suppliers	Catalog Number
Matrix Scientific	007531

Database	Data ID
PubChem	12772

M. W.

155.6247

CAS

698-01-1

Similarity

N/A

ID: 10672

3-chloro-2-methylbenzamide

$$$$ Data

M. F.

C8H8ClNO

Suppliers	Catalog Number
Matrix Scientific	007532

Database	Data ID
PubChem	3699690

M. W.

169.60822

CAS

Similarity

N/A

ID: 10673

2-chloro-5-methylbenzonitrile

$$$$ Data

M. F.

C8H6ClN

Suppliers	Catalog Number
MP Biomedicals	05207848
Matrix Scientific	007533

Database	Data ID
PubChem	12557200

M. W.

151.59294

CAS

4387-32-0

Similarity

N/A

ID: 10674

2-(chloromethyl)naphthalene

$$$$ Data More

M. F.

C11H9Cl

Suppliers	Catalog Number
Sigma Aldrich	726419
MP Biomedicals	05220679
Alfa Aesar	H50242

Database	Data ID
PubChem	75632

M. W.

176.64216

CAS

2506-41-4

Similarity

N/A

ID: 10675

1-(4-chlorophenyl)ethan-1-amine

$$$$ Data

M. F.

C8H10ClN

Suppliers	Catalog Number
Sigma Aldrich	549142
Matrix Scientific	007538
Apollo Scientific	OR17821

Database	Data ID
PubChem	97803

M. W.

155.6247

CAS

6299-02-1

Similarity

N/A

ID: 10676

2-(4-chlorophenyl)ethan-1-amine

$$$$ Data More

M. F.

C8H10ClN

Suppliers	Catalog Number
Sigma Aldrich	C65408
MP Biomedicals	05213843
Matrix Scientific	007540

Database	Data ID
PubChem	67430

M. W.

155.6247

CAS

156-41-2

Similarity

N/A

ID: 10677

1-chloro-4-(2-chloroethyl)benzene

$$$$ Data

M. F.

C8H8Cl2

Suppliers	Catalog Number
MP Biomedicals	05204394
Matrix Scientific	007541

Database	Data ID
PubChem	3790359

M. W.

175.05512

CAS

32327-70-1

Similarity

N/A

ID: 10678

3-(4-chlorophenyl)propan-1-ol

$$$$ Data More

M. F.

C9H11ClO

Suppliers	Catalog Number
Matrix Scientific	007542
Maybridge	KM10071
Apollo Scientific	OR0287

Database	Data ID
PubChem	221971

M. W.

170.63604

CAS

6282-88-8

Similarity

N/A

ID: 10679

1-chloro-4-(3-chloropropyl)benzene

$$$$ Data More

M. F.

C9H10Cl2

Suppliers	Catalog Number
MP Biomedicals	05204397
Matrix Scientific	007543
Apollo Scientific	OR1591

Database	Data ID
PubChem	2735720

M. W.

189.0817

CAS

64473-34-3

Similarity

N/A

ID: 10680

2-cyclopentylhexanoic acid

$$$$ Data

M. F.

C11H20O2

Suppliers	Catalog Number
Matrix Scientific	007544

Database	Data ID
PubChem	246850

M. W.

184.2753

CAS

5623-89-2

Similarity

N/A

ID: 10681

(2-aminoethyl)bis(prop-2-en-1-yl)amine

$$$$ Data

M. F.

C8H16N2

Suppliers	Catalog Number
Matrix Scientific	007545

Database	Data ID
PubChem	3741236

M. W.

140.22604

CAS

25077-82-1

Similarity

N/A

ID: 10682

1,6-diphenylhexane-1,6-dione

$$$$ Data More

M. F.

C18H18O2

Suppliers	Catalog Number
Sigma Aldrich	D32806
MP Biomedicals	05207723
Matrix Scientific	007546

Database	Data ID
PubChem	76903

M. W.

266.33432

CAS

3375-38-0

Similarity

N/A

ID: 10683

1,10-diphenyldecane-1,10-dione

$$$$ Data

M. F.

C22H26O2

Suppliers	Catalog Number
Matrix Scientific	007547

Database	Data ID
PubChem	235184

M. W.

322.44064

CAS

6268-61-7

Similarity

N/A

ID: 10684

1,7-diphenylheptane-1,7-dione

$$$$ Data

M. F.

C19H20O2

Suppliers	Catalog Number
Matrix Scientific	007548

Database	Data ID
PubChem	458199

M. W.

280.3609

CAS

Similarity

N/A

ID: 10685

2,5-dibromohexanedioic acid

$$$$ Data

M. F.

C6H8Br2O4

Suppliers	Catalog Number
Matrix Scientific	007549

Database	Data ID
PubChem	99860

M. W.

303.93332

CAS

3479-85-4

Similarity

N/A

ID: 10686

1,4-dibromonaphthalene

$$$$ Data More

M. F.

C10H6Br2

Suppliers	Catalog Number
MP Biomedicals	05213982
Alfa Aesar	A18171
Matrix Scientific	007550

Database	Data ID
PubChem	66521

M. W.

285.96264

CAS

83-53-4

Similarity

N/A

ID: 10687

2-(dibutylamino)acetonitrile

$$$$ Data

M. F.

C10H20N2

Suppliers	Catalog Number
MP Biomedicals	05204972
Matrix Scientific	007551

Database	Data ID
PubChem	87443

M. W.

168.2792

CAS

18071-38-0

Similarity

N/A

ID: 10688

butyl[2-(butylamino)ethyl]amine

$$$$ Data

M. F.

C10H24N2

Suppliers	Catalog Number
Matrix Scientific	007552

Database	Data ID
PubChem	77629

M. W.

172.31096

CAS

Similarity

N/A

ID: 10689

tert-butyl[3-(tert-butylamino)propyl]amine

$$$$ Data

M. F.

C11H26N2

Suppliers	Catalog Number
Matrix Scientific	007553

Database	Data ID
PubChem	469925

M. W.

186.33754

CAS

22687-38-3

Similarity

N/A

ID: 10690

(2,6-dichlorophenyl)methanamine

$$$$ Data More

M. F.

C7H7Cl2N

Suppliers	Catalog Number
Alfa Aesar	H29274
Matrix Scientific	007554
Apollo Scientific	OR59807

Database	Data ID
PubChem	485432

M. W.

176.04318

CAS

6575-27-5

Similarity

N/A

ID: 10691

2,4-dichloro-1,3,5-trimethylbenzene

$$$$ Data

M. F.

C9H10Cl2

Suppliers	Catalog Number
MP Biomedicals	05225175
Matrix Scientific	007555

Database	Data ID
PubChem	3698440

M. W.

189.0817

CAS

57386-83-1

Similarity

N/A

ID: 10692

1-(diethylamino)propan-2-one

$$$$ Data

M. F.

C7H15NO

Suppliers	Catalog Number
Sigma Aldrich	D86000
MP Biomedicals	05210968
Matrix Scientific	007557

Database	Data ID
PubChem	74176

M. W.

129.2001

CAS

1620-14-0

Similarity

N/A

ID: 10693

5-(diethylamino)pentan-1-ol

$$$$ Data

M. F.

C9H21NO

Suppliers	Catalog Number
Matrix Scientific	007558

Database	Data ID
PubChem	520284

M. W.

159.26914

CAS

2683-57-0

Similarity

N/A

ID: 10694

(5-aminopentyl)diethylamine

$$$$ Data

M. F.

C9H22N2

Suppliers	Catalog Number
MP Biomedicals	05212124
Matrix Scientific	007559

Database	Data ID
PubChem	4584949

M. W.

158.28438

CAS

34987-15-0

Similarity

N/A

ID: 10695

4-(diethylamino)butan-1-ol

$$$$ Data

M. F.

C8H19NO

Suppliers	Catalog Number
Matrix Scientific	007560

Database	Data ID
PubChem	75894

M. W.

145.24256

CAS

2683-56-9

Similarity

N/A

ID: 10696

(4-aminobutyl)diethylamine

$$$$ Data

M. F.

C8H20N2

Suppliers	Catalog Number
MP Biomedicals	05205156
Alfa Aesar	H50278
Matrix Scientific	007561

Database	Data ID
PubChem	117976

M. W.

144.2578

CAS

27431-62-5

Similarity

N/A

ID: 10697

diethyl[2-(pyridin-4-yl)ethyl]amine

$$$$ Data

M. F.

C11H18N2

Suppliers	Catalog Number
Matrix Scientific	007562
Apollo Scientific	OR27507

Database	Data ID
PubChem	247907

M. W.

178.27402

CAS

67580-61-4

Similarity

N/A

ID: 10698

7-(diethylamino)heptanenitrile

$$$$ Data

M. F.

C11H22N2

Suppliers	Catalog Number
MP Biomedicals	05214276
Matrix Scientific	007563

Database	Data ID
PubChem	3857194

M. W.

182.30578

CAS

Similarity

N/A

ID: 10699

1,3-diethyl 2-(2-methylpropanoyl)propanedioate

$$$$ Data

M. F.

C11H18O5

Suppliers	Catalog Number
Matrix Scientific	007566

Database	Data ID
PubChem	300036

M. W.

230.25762

CAS

21633-78-3

Similarity

N/A

ID: 10700

2-[bis(propan-2-yl)amino]acetonitrile

$$$$ Data

M. F.

C8H16N2

Suppliers	Catalog Number
MP Biomedicals	05202025
Matrix Scientific	007568

Database	Data ID
PubChem	231128

M. W.

140.22604

CAS

54714-49-7

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified