Chembase list of 866358 unique molecular structures

1-(3-methylphenyl)-1,4-diazepane hydrochloride

$$$$ Data

M. F.

C12H19ClN2

Suppliers	Catalog Number
Alfa Aesar	H51700

Database	Data ID
PubChem	16119675

M. W.

226.74566

CAS

934991-97-6

Similarity

N/A

ID: 297802

1-(4-fluorophenyl)-1,4-diazepane dihydrochloride

$$$$ Data

M. F.

C11H17Cl2FN2

Suppliers	Catalog Number
Alfa Aesar	H51701

Database	Data ID
PubChem	16119681

M. W.

267.1704832

CAS

263409-96-7

Similarity

N/A

ID: 297803

1-(4-tert-butylphenyl)-1,4-diazepane dihydrochloride

$$$$ Data

M. F.

C15H26Cl2N2

Suppliers	Catalog Number
Alfa Aesar	H51702

Database	Data ID
PubChem	16119679

M. W.

305.28634

CAS

934992-03-7

Similarity

N/A

ID: 297804

(E)-N'-hydroxy-4-methylbenzene-1-carboximidamide

$$$$ Data

M. F.

C8H10N2O

Suppliers	Catalog Number
Alfa Aesar	H51704

Database	Data ID
PubChem	5373151

M. W.

150.1778

CAS

19227-13-5

Similarity

N/A

ID: 297805

2-(benzyloxy)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde

$$$$ Data

M. F.

C20H23BO4

Suppliers	Catalog Number
Alfa Aesar	H51708

Database	Data ID
PubChem	71306513

M. W.

338.20522

CAS

Similarity

N/A

ID: 297806

2-[3-chloro-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

$$$$ Data

M. F.

C13H15BClF3O2

Suppliers	Catalog Number
Alfa Aesar	H51712

Database	Data ID
PubChem	46739570

M. W.

306.5162096

CAS

942069-65-0

Similarity

N/A

ID: 297807

2-[3-bromo-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

$$$$ Data

M. F.

C13H15BBrF3O2

Suppliers	Catalog Number
Alfa Aesar	H51713

Database	Data ID
PubChem	11314119

M. W.

350.9672096

CAS

479411-92-2

Similarity

N/A

ID: 297808

2-(3-methylphenyl)-4-phenyl-1,3-thiazole

$$$$ Data

M. F.

C16H13NS

Suppliers	Catalog Number
Alfa Aesar	H51717

Database	Data ID
PubChem	20344981

M. W.

251.34612

CAS

2227-70-5

Similarity

N/A

ID: 297809

[3-bromo-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl formate

$$$$ Data

M. F.

C14H18BBrO4

Suppliers	Catalog Number
Alfa Aesar	H51718

Database	Data ID
PubChem	73995236

M. W.

341.00532

CAS

1025718-78-8

Similarity

N/A

ID: 297810

(E)-N'-hydroxy-2-methylbenzene-1-carboximidamide

$$$$ Data

M. F.

C8H10N2O

Suppliers	Catalog Number
Alfa Aesar	H51719

Database	Data ID
PubChem	5941605

M. W.

150.1778

CAS

40312-14-9

Similarity

N/A

ID: 297811

(E)-6-amino-N'-hydroxypyridine-3-carboximidamide

$$$$ Data

M. F.

C6H8N4O

Suppliers	Catalog Number
Alfa Aesar	H51720

Database	Data ID
PubChem	51650789

M. W.

152.15392

CAS

468068-28-2

Similarity

N/A

ID: 297812

4,4,5,5-tetramethyl-2-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]-1,3...

$$$$ Data

M. F.

C16H26B2O4S

Suppliers	Catalog Number
Alfa Aesar	H51725

Database	Data ID
PubChem	23058061

M. W.

336.06224

CAS

175361-81-6

Similarity

N/A

ID: 297813

4-(bromomethyl)-2-(pyridin-2-yl)-1,3-thiazol-5-yl propanoate

$$$$ Data

M. F.

C12H11BrN2O2S

Suppliers	Catalog Number
Alfa Aesar	H51727

Database	Data ID
PubChem	73995237

M. W.

327.19694

CAS

1138444-37-7

Similarity

N/A

ID: 297814

2-(4-methylphenyl)-4-phenyl-1,3-thiazole

$$$$ Data

M. F.

C16H13NS

Suppliers	Catalog Number
Alfa Aesar	H51730

Database	Data ID
PubChem	12411172

M. W.

251.34612

CAS

2227-61-4

Similarity

N/A

ID: 297815

2-(4-phenyl-1,3-thiazol-2-yl)pyridine

$$$$ Data

M. F.

C14H10N2S

Suppliers	Catalog Number
Alfa Aesar	H51731

Database	Data ID
PubChem	16832293

M. W.

238.3076

CAS

14384-67-9

Similarity

N/A

ID: 297816

{2-[(4-fluorophenyl)dimethylsilyl]phenyl}methanol

$$$$ Data

M. F.

C15H17FOSi

Suppliers	Catalog Number
Alfa Aesar	H51735

Database	Data ID
PubChem	11989534

M. W.

260.3787832

CAS

853955-70-1

Similarity

N/A

ID: 297817

{2-[(4-chlorophenyl)dimethylsilyl]phenyl}methanol

$$$$ Data

M. F.

C15H17ClOSi

Suppliers	Catalog Number
Alfa Aesar	H51736

Database	Data ID
PubChem	57416887

M. W.

276.83338

CAS

Similarity

N/A

ID: 297818

{2-[dimethyl(pyridin-3-yl)silyl]phenyl}methanol

$$$$ Data

M. F.

C14H17NOSi

Suppliers	Catalog Number
Alfa Aesar	H51737

Database	Data ID
PubChem	71306631

M. W.

243.37638

CAS

Similarity

N/A

ID: 297819

{2-[(6-chloropyridin-3-yl)dimethylsilyl]phenyl}methanol

$$$$ Data

M. F.

C14H16ClNOSi

Suppliers	Catalog Number
Alfa Aesar	H51738

Database	Data ID
PubChem	71306633

M. W.

277.82144

CAS

Similarity

N/A

ID: 297820

(2-{dimethyl[4-(methylsulfanyl)phenyl]silyl}phenyl)methanol

$$$$ Data

M. F.

C16H20OSSi

Suppliers	Catalog Number
Alfa Aesar	H51739

Database	Data ID
PubChem	57416883

M. W.

288.4799

CAS

Similarity

N/A

ID: 297821

{2-[(6-methoxypyridin-3-yl)dimethylsilyl]phenyl}methanol

$$$$ Data

M. F.

C15H19NO2Si

Suppliers	Catalog Number
Alfa Aesar	H51740

Database	Data ID
PubChem	71306637

M. W.

273.40236

CAS

Similarity

N/A

ID: 297822

{2-[(3,4-dimethoxyphenyl)dimethylsilyl]phenyl}methanol

$$$$ Data

M. F.

C17H22O3Si

Suppliers	Catalog Number
Alfa Aesar	H51741

Database	Data ID
PubChem	57416881

M. W.

302.44028

CAS

Similarity

N/A

ID: 297823

{2-[(2-methoxyphenyl)dimethylsilyl]phenyl}methanol

$$$$ Data

M. F.

C16H20O2Si

Suppliers	Catalog Number
Alfa Aesar	H51742

Database	Data ID
PubChem	71306634

M. W.

272.4143

CAS

Similarity

N/A

ID: 297824

2-methyl-1-(4-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}piperazin-1...

$$$$ Data

M. F.

C22H35BN2O4

Suppliers	Catalog Number
Alfa Aesar	H51743

Database	Data ID
PubChem	73995238

M. W.

402.3353

CAS

Similarity

N/A

ID: 297825

1-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}azepane

$$$$ Data

M. F.

C19H30BNO2

Suppliers	Catalog Number
Alfa Aesar	H51744

Database	Data ID
PubChem	57415692

M. W.

315.258

CAS

Similarity

N/A

ID: 297826

N-ethyl-N-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxymethyl]formamide

$$$$ Data

M. F.

C16H24BNO4

Suppliers	Catalog Number
Alfa Aesar	H51746

Database	Data ID
PubChem	73995239

M. W.

305.17706

CAS

Similarity

N/A

ID: 297827

3-(4-phenyl-1,3-thiazol-2-yl)pyridine

$$$$ Data

M. F.

C14H10N2S

Suppliers	Catalog Number
Alfa Aesar	H51748

Database	Data ID
PubChem	701015

M. W.

238.3076

CAS

70031-86-6

Similarity

N/A

ID: 297828

(E)-N'-hydroxypyridine-3-carboximidamide

$$$$ Data

M. F.

C6H7N3O

Suppliers	Catalog Number
Alfa Aesar	H51749

Database	Data ID
PubChem	5357883

M. W.

137.13928

CAS

1594-58-7

Similarity

N/A

ID: 297829

1-(4-methylphenyl)-1,4-diazepane hydrochloride

$$$$ Data

M. F.

C12H19ClN2

Suppliers	Catalog Number
Alfa Aesar	H51750

Database	Data ID
PubChem	73012334

M. W.

226.74566

CAS

Similarity

N/A

ID: 297830

[3-(1,4-diazepan-1-yl)phenyl]methanol hydrochloride

$$$$ Data

M. F.

C12H19ClN2O

Suppliers	Catalog Number
Alfa Aesar	H51751

Database	Data ID
PubChem	73995240

M. W.

242.74506

CAS

Similarity

N/A

ID: 297831

1-[3-(tert-butoxy)phenyl]-1,4-diazepane hydrochloride

$$$$ Data

M. F.

C15H25ClN2O

Suppliers	Catalog Number
Alfa Aesar	H51752

Database	Data ID
PubChem	16119680

M. W.

284.8248

CAS

934992-04-8

Similarity

N/A

ID: 297832

4-(4-phenyl-1,3-thiazol-2-yl)pyridine

$$$$ Data

M. F.

C14H10N2S

Suppliers	Catalog Number
Alfa Aesar	H51754

Database	Data ID
PubChem	738483

M. W.

238.3076

CAS

106950-18-9

Similarity

N/A

ID: 297833

(2-{dimethyl[4-(morpholin-4-yl)phenyl]silyl}phenyl)methanol

$$$$ Data

M. F.

C19H25NO2Si

Suppliers	Catalog Number
Alfa Aesar	H51756

Database	Data ID
PubChem	71306639

M. W.

327.4928

CAS

Similarity

N/A

ID: 297834

{2-[(2,4-dimethoxyphenyl)dimethylsilyl]phenyl}methanol

$$$$ Data

M. F.

C17H22O3Si

Suppliers	Catalog Number
Alfa Aesar	H51757

Database	Data ID
PubChem	71306641

M. W.

302.44028

CAS

Similarity

N/A

ID: 297835

{2-[dimethyl(4-phenylphenyl)silyl]phenyl}methanol

$$$$ Data

M. F.

C21H22OSi

Suppliers	Catalog Number
Alfa Aesar	H51761

Database	Data ID
PubChem	57416876

M. W.

318.48428

CAS

Similarity

N/A

ID: 297836

5-(4-isocyanophenyl)furan-2-carboxylic acid

$$$$ Data

M. F.

C12H7NO3

Suppliers	Catalog Number
Alfa Aesar	H51763

Database	Data ID
PubChem	73995242

M. W.

213.18888

CAS

Similarity

N/A

ID: 297837

3-[4-(hydroxymethyl)phenyl]benzoic acid

$$$$ Data

M. F.

C14H12O3

Suppliers	Catalog Number
Alfa Aesar	H51764

Database	Data ID
PubChem	22311035

M. W.

228.24328

CAS

725-05-3

Similarity

N/A

ID: 297838

3-[3-(hydroxymethyl)phenyl]benzoic acid

$$$$ Data

M. F.

C14H12O3

Suppliers	Catalog Number
Alfa Aesar	H51767

Database	Data ID
PubChem	20100115

M. W.

228.24328

CAS

168618-45-9

Similarity

N/A

ID: 297839

2-[5-(bromomethyl)-4-phenyl-1,3-thiazol-2-yl]pyridine

$$$$ Data

M. F.

C15H11BrN2S

Suppliers	Catalog Number
Alfa Aesar	H51772

Database	Data ID
PubChem	73012849

M. W.

331.23024

CAS

Similarity

N/A

ID: 297840

(E)-3-amino-N'-hydroxybenzene-1-carboximidamide

$$$$ Data

M. F.

C7H9N3O

Suppliers	Catalog Number
Alfa Aesar	H51773

Database	Data ID
PubChem	45867514

M. W.

151.16586

CAS

100524-07-0

Similarity

N/A

ID: 297841

2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyridine

$$$$ Data

M. F.

C15H12N2S

Suppliers	Catalog Number
Alfa Aesar	H51777

Database	Data ID
PubChem	73012868

M. W.

252.33418

CAS

Similarity

N/A

ID: 297842

3-[5-(bromomethyl)-4-phenyl-1,3-thiazol-2-yl]pyridine

$$$$ Data

M. F.

C15H11BrN2S

Suppliers	Catalog Number
Alfa Aesar	H51779

Database	Data ID
PubChem	73012850

M. W.

331.23024

CAS

Similarity

N/A

ID: 297843

2-(bromomethyl)-4-phenyl-1,3-thiazole

$$$$ Data

M. F.

C10H8BrNS

Suppliers	Catalog Number
Alfa Aesar	H51780

Database	Data ID
PubChem	53482102

M. W.

254.14622

CAS

78502-79-1

Similarity

N/A

ID: 297844

(E)-2-amino-N'-hydroxybenzene-1-carboximidamide

$$$$ Data

M. F.

C7H9N3O

Suppliers	Catalog Number
Alfa Aesar	H51782

Database	Data ID
PubChem	5880984

M. W.

151.16586

CAS

16348-49-5

Similarity

N/A

ID: 297845

2,5-dimethyl-4-phenyl-1,3-thiazole

$$$$ Data

M. F.

C11H11NS

Suppliers	Catalog Number
Alfa Aesar	H51783

Database	Data ID
PubChem	5028406

M. W.

189.27674

CAS

Similarity

N/A

ID: 297846

3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyridine

$$$$ Data

M. F.

C15H12N2S

Suppliers	Catalog Number
Alfa Aesar	H51784

Database	Data ID
PubChem	53854677

M. W.

252.33418

CAS

Similarity

N/A

ID: 297847

4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyridine

$$$$ Data

M. F.

C15H12N2S

Suppliers	Catalog Number
Alfa Aesar	H51787

Database	Data ID
PubChem	32500682

M. W.

252.33418

CAS

Similarity

N/A

ID: 297848

(E)-4-amino-N'-hydroxybenzene-1-carboximidamide

$$$$ Data

M. F.

C7H9N3O

Suppliers	Catalog Number
Alfa Aesar	H51788

Database	Data ID
PubChem	5478941

M. W.

151.16586

CAS

277319-62-7

Similarity

N/A

ID: 297849

tert-butyl N-{5-[(E)-N'-hydroxycarbamimidoyl]pyridin-2-yl}carbamate

$$$$ Data

M. F.

C11H16N4O3

Suppliers	Catalog Number
Alfa Aesar	H51789

Database	Data ID
PubChem	73995243

M. W.

252.26974

CAS

Similarity

N/A

ID: 297850

2-methylbenzene-1-carbothioamide

$$$$ Data

M. F.

C8H9NS

Suppliers	Catalog Number
ChemBridge	4009956
Alfa Aesar	H51790
A&J Pharmtech	AJA-O33210

Database	Data ID
PubChem	816810

M. W.

151.22876

CAS

53515-19-8

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