Chembase list of 866358 unique molecular structures

pentasodium 3-amino-4-[2-(4-{4-[2-(2-amino-3,6-disulfonatonaphthalen-1-yl)diazen...

$$$$ Data

M. F.

C32H19N6Na5O15S5

Suppliers	Catalog Number
MP Biomedicals	05225639

Database	Data ID
PubChem	73031

M. W.

1002.79831

CAS

574-64-1

Similarity

N/A

ID: 112752

3,7-dimethyloctan-3-yl acetate

$$$$ Data

M. F.

C12H24O2

Suppliers	Catalog Number
MP Biomedicals	05225643

Database	Data ID
PubChem	89385

M. W.

200.31776

CAS

20780-48-7

Similarity

N/A

ID: 112753

3,3,5,5-tetramethylcyclohexan-1-ol

$$$$ Data

M. F.

C10H20O

Suppliers	Catalog Number
Sigma Aldrich	190624
MP Biomedicals	05225647

Database	Data ID
PubChem	75851

M. W.

156.2652

CAS

2650-40-0

Similarity

N/A

ID: 112754

bis(dimethylsilyl)amine

$$$$ Data More

M. F.

C4H15NSi2

Suppliers	Catalog Number
Sigma Aldrich	139246 87830
MP Biomedicals	05225649
Alfa Aesar	A14304

Database	Data ID
PubChem	6327317

M. W.

133.3396

CAS

15933-59-2

Similarity

N/A

ID: 112755

N,N,2,2-tetramethylpentanamide

$$$$ Data

M. F.

C9H19NO

Suppliers	Catalog Number
MP Biomedicals	05225658

Database	Data ID
PubChem	25022203

M. W.

157.25326

CAS

Similarity

N/A

ID: 112756

tetratetracontane

$$$$ Data

M. F.

C44H90

Suppliers	Catalog Number
Sigma Aldrich	358746 88143 88144 (more...)
MP Biomedicals	05225661
Alfa Aesar	A15449

Database	Data ID
PubChem	23494

M. W.

619.1854

CAS

7098-22-8

Similarity

N/A

ID: 112757

$$$$ Data

M. F.

C9H15N2O2

Suppliers	Catalog Number
Sigma Aldrich	C5026 155683
MP Biomedicals	05225662
Alfa Aesar	A17381

Database	Data ID
PubChem	592762

M. W.

183.2276

CAS

3229-73-0

Similarity

N/A

ID: 112758

bis($l^{1}-thallanylium) selenite

$$$$ Data

M. F.

O3SeTl2

Suppliers	Catalog Number
MP Biomedicals	05225664

Database	Data ID
PubChem	22833476

M. W.

535.7248

CAS

Similarity

N/A

ID: 112759

2-[2-(furan-2-yl)diazen-1-yl]-4-methylphenol

$$$$ Data

M. F.

C11H10N2O2

Suppliers	Catalog Number
MP Biomedicals	05225667

Database	Data ID
PubChem	71299786

M. W.

202.2093

CAS

1823-44-5

Similarity

N/A

ID: 112760

3-ethylpentan-3-amine

$$$$ Data

M. F.

C7H17N

Suppliers	Catalog Number
ChemBridge	4017686
MP Biomedicals	05225668
Enamine	EN300-76565

Database	Data ID
PubChem	448678

M. W.

115.21658

CAS

Similarity

N/A

ID: 112761

iodothallane

$$$$ Data

M. F.

ITl

Suppliers	Catalog Number
Sigma Aldrich	229970 309222 458813
MP Biomedicals	05225671

Database	Data ID
PubChem	62679

M. W.

331.28777

CAS

7790-30-9

Similarity

N/A

ID: 112762

1,3-dimethylcyclopentane

$$$$ Data

M. F.

C7H14

Suppliers	Catalog Number
MP Biomedicals	05225677

Database	Data ID
PubChem	17149

M. W.

98.18606

CAS

2532-58-3

Similarity

N/A

ID: 112763

1,2-dimethylcyclohex-1-ene

$$$$ Data

M. F.

C8H14

Suppliers	Catalog Number
MP Biomedicals	05225678

Database	Data ID
PubChem	15480

M. W.

110.19676

CAS

1674-10-8

Similarity

N/A

ID: 112764

1-[5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2-methylphenyl]-2,5-dihydro-1H-pyrro...

$$$$ Data

M. F.

C15H10N2O4

Suppliers	Catalog Number
MP Biomedicals	05225691

Database	Data ID
PubChem	80893

M. W.

282.2509

CAS

6422-83-9

Similarity

N/A

ID: 112765

tricyclo[3.3.1.1^{3,7}]tetraphosphoxane-1,3,5,7-tetrone

$$$$ Data

M. F.

O10P4

Suppliers	Catalog Number
Sigma Aldrich	431419
MP Biomedicals	05225698
Alfa Aesar	10827 89966

Database	Data ID
Wikipedia	Phosphorus_pentoxide
PubChem	14812

M. W.

283.889044

CAS

1314-56-3

Similarity

N/A

ID: 112766

2,4,6-tribromophenyl acetate

$$$$ Data

M. F.

C8H5Br3O2

Suppliers	Catalog Number
MP Biomedicals	05225704
TRC	T772625

Database	Data ID
PubChem	69094

M. W.

372.8361

CAS

102932-09-2

Similarity

N/A

ID: 112767

chlororhodium; tris(triphenylphosphane)

$$$$ Data

M. F.

C54H45ClP3Rh

Suppliers	Catalog Number
Sigma Aldrich	205036 199982 93403
MP Biomedicals	05225710
Alfa Aesar	10468

Database	Data ID
PubChem	0

M. W.

925.214883

CAS

14694-95-2

Similarity

N/A

ID: 112768

tricosan-7-ol

$$$$ Data

M. F.

C23H48O

Suppliers	Catalog Number
MP Biomedicals	05225719

Database	Data ID
PubChem	23550229

M. W.

340.62662

CAS

Similarity

N/A

ID: 112769

tridec-1-yne

$$$$ Data

M. F.

C13H24

Suppliers	Catalog Number
MP Biomedicals	05225721
Alfa Aesar	L02481

Database	Data ID
PubChem	117754

M. W.

180.32966

CAS

26186-02-7

Similarity

N/A

ID: 112770

chlorotriethylgermane

$$$$ Data

M. F.

C6H15ClGe

Suppliers	Catalog Number
Sigma Aldrich	397318
MP Biomedicals	05225726
Alfa Aesar	34128

Database	Data ID
PubChem	70438

M. W.

195.2763

CAS

994-28-5

Similarity

N/A

ID: 112771

2,4,5-triethoxybenzaldehyde

$$$$ Data

M. F.

C13H18O4

Suppliers	Catalog Number
MP Biomedicals	05225731

Database	Data ID
PubChem	105686

M. W.

238.27962

CAS

67827-54-7

Similarity

N/A

ID: 112772

magnesium(2+) ion bis(1,1,1-trifluoro-4-oxopent-2-en-2-olate)

$$$$ Data

M. F.

C10H8F6MgO4

Suppliers	Catalog Number
MP Biomedicals	05225734

Database	Data ID
PubChem	5708557

M. W.

330.4635392

CAS

53633-79-7

Similarity

N/A

ID: 112773

2-aminoacetic acid hydrochloride

$$$$ Data More

M. F.

C2H6ClNO2

Suppliers	Catalog Number
Sigma Aldrich	G2879 219509 55097
MP Biomedicals	05225745
Alfa Aesar	A12162

Database	Data ID
PubChem	22316

M. W.

111.52754

CAS

6000-43-7

Similarity

N/A

ID: 112774

(1S,2R,5S,7R,8R,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetr...

$$$$ Data

M. F.

C27H48O3

Suppliers	Catalog Number
MP Biomedicals	05225755
TRC	T795100

Database	Data ID
PubChem	91498

M. W.

420.66822

CAS

1253-84-5

Similarity

N/A

ID: 112775

3,3,5-trimethylcyclohex-1-ene

$$$$ Data

M. F.

C9H16

Suppliers	Catalog Number
MP Biomedicals	05225767

Database	Data ID
PubChem	79031

M. W.

124.22334

CAS

503-45-7

Similarity

N/A

ID: 112776

1,1,2-trimethylcyclopropane

$$$$ Data

M. F.

C6H12

Suppliers	Catalog Number
MP Biomedicals	05225773

Database	Data ID
PubChem	138125

M. W.

84.15948

CAS

4127-45-1

Similarity

N/A

ID: 112777

2,4,4-trimethylcyclopentan-1-one

$$$$ Data

M. F.

C8H14O

Suppliers	Catalog Number
Sigma Aldrich	390771
MP Biomedicals	05225775
Alfa Aesar	B20425

Database	Data ID
PubChem	107324

M. W.

126.19616

CAS

4694-12-6

Similarity

N/A

ID: 112778

cyclohexane-1,2-diamine

$$$$ Data More

M. F.

C6H14N2

Suppliers	Catalog Number
Sigma Aldrich	132551 32850
MP Biomedicals	05225776
Alfa Aesar	B24657

Database	Data ID
PubChem	4610

M. W.

114.18876

CAS

694-83-7

Similarity

N/A

ID: 112779

2,4,6-trimethylhepta-1,3,6-triene

$$$$ Data

M. F.

C10H16

Suppliers	Catalog Number
MP Biomedicals	05225782

Database	Data ID
PubChem	5368777

M. W.

136.23404

CAS

Similarity

N/A

ID: 112780

2,2,4-trimethylpentan-3-one

$$$$ Data

M. F.

C8H16O

Suppliers	Catalog Number
MP Biomedicals	05225785

Database	Data ID
PubChem	138611

M. W.

128.21204

CAS

5857-36-3

Similarity

N/A

ID: 112781

N-(2-methylphenyl)-2,4,6-trinitroaniline

$$$$ Data

M. F.

C13H10N4O6

Suppliers	Catalog Number
MP Biomedicals	05225792

Database	Data ID
PubChem	3391699

M. W.

318.2417

CAS

Similarity

N/A

ID: 112782

triphenyl-1,3,5-triazine

$$$$ Data More

M. F.

C21H15N3

Suppliers	Catalog Number
Sigma Aldrich	259810
MP Biomedicals	05225798
Alfa Aesar	H31913

Database	Data ID
PubChem	10305

M. W.

309.3639

CAS

493-77-6

Similarity

N/A

ID: 112783

1-chloroethane-1,2-diamine chromium

$$$$ Data

M. F.

C2H7ClCrN2

Suppliers	Catalog Number
MP Biomedicals	05225805

Database	Data ID
PubChem	44135470

M. W.

146.53948

CAS

Similarity

N/A

ID: 112784

[(dimethylsilyl)oxy]dimethylsilane

$$$$ Data

M. F.

C4H14OSi2

Suppliers	Catalog Number
Sigma Aldrich	T5301 92231 235733 (more...)
MP Biomedicals	05225814
Alfa Aesar	B23697

Database	Data ID
PubChem	6327482

M. W.

134.32436

CAS

3277-26-7

Similarity

N/A

ID: 112785

undec-2-yne

$$$$ Data

M. F.

C11H20

Suppliers	Catalog Number
MP Biomedicals	05225819

Database	Data ID
PubChem	143688

M. W.

152.2765

CAS

Similarity

N/A

ID: 112786

undec-3-yne

$$$$ Data

M. F.

C11H20

Suppliers	Catalog Number
MP Biomedicals	05225821
Alfa Aesar	B21753

Database	Data ID
PubChem	143689

M. W.

152.2765

CAS

60212-30-8

Similarity

N/A

ID: 112787

dichlorovanadium

$$$$ Data

M. F.

Cl2V

Suppliers	Catalog Number
Sigma Aldrich	422371
MP Biomedicals	05225825

Database	Data ID
Wikipedia	Vanadium(II)_chloride
PubChem	66355

M. W.

121.8475

CAS

10580-52-6

Similarity

N/A

ID: 112788

ytterbium(3+) ion tris(4-oxopent-2-en-2-olate)

$$$$ Data

M. F.

C15H21O6Yb

Suppliers	Catalog Number
MP Biomedicals	05225834
Alfa Aesar	13159

Database	Data ID
PubChem	14455610

M. W.

470.37764

CAS

14284-98-1

Similarity

N/A

ID: 112789

diyttrium(1+) ion oxozirconiumbis(olate)

$$$$ Data

M. F.

O3Y2Zr

Suppliers	Catalog Number
MP Biomedicals	05225835

Database	Data ID
PubChem	25147474

M. W.

317.0339

CAS

Similarity

N/A

ID: 112790

zinc(2+) ion dioxochromiumbis(olate)

$$$$ Data

M. F.

CrO4Zn

Suppliers	Catalog Number
MP Biomedicals	05225839
Alfa Aesar	A18178

Database	Data ID
PubChem	26089

M. W.

181.3737

CAS

13530-65-9

Similarity

N/A

ID: 112791

zinc(2+) ion oxalate

$$$$ Data

M. F.

C2O4Zn

Suppliers	Catalog Number
MP Biomedicals	05225840
Alfa Aesar	12985

Database	Data ID
PubChem	11041

M. W.

153.399

CAS

4255-07-6

Similarity

N/A

ID: 112792

2,2,4-trimethylpentane-1,3-diol

$$$$ Data More

M. F.

C8H18O2

Suppliers	Catalog Number
Sigma Aldrich	327220 92620
MP Biomedicals	05225848
Alfa Aesar	B21328

Database	Data ID
PubChem	8946

M. W.

146.22732

CAS

144-19-4

Similarity

N/A

ID: 112793

N-(adamantan-1-yl)acetamide

$$$$ Data More

M. F.

C12H19NO

Suppliers	Catalog Number
MP Biomedicals	05225851
Alfa Aesar	A17224
Bide Pharmatech	BD14245

Database	Data ID
PubChem	64153

M. W.

193.28536

CAS

880-52-4

Similarity

N/A

ID: 112794

potassium manganesoylolate

$$$$ Data

M. F.

KMnO4

Suppliers	Catalog Number
Sigma Aldrich	35184 34267 38136 (more...)
MP Biomedicals	05225853
Alfa Aesar	A12170 35590 36675 (more...)

Database	Data ID
Wikipedia	Potassium_permanganate
PubChem	516875

M. W.

158.033949

CAS

7722-64-7

Similarity

N/A

ID: 112795

dipotassium sulfite

$$$$ Data

M. F.

K2O3S

Suppliers	Catalog Number
Sigma Aldrich	658510 289817 24-5640
MP Biomedicals	05225855

Database	Data ID
Wikipedia	Potassium_sulfite
PubChem	24958

M. W.

158.2598

CAS

10117-38-1

Similarity

N/A

ID: 112796

1-(acetyloxy)propan-2-yl acetate

$$$$ Data

M. F.

C7H12O4

Suppliers	Catalog Number
Sigma Aldrich	528072
MP Biomedicals	05225872
Alfa Aesar	L10593

Database	Data ID
PubChem	12198

M. W.

160.16778

CAS

134236-23-0

Similarity

N/A

ID: 112797

dialuminium(3+) ion triselenate

$$$$ Data

M. F.

Al2H6O12Se3

Suppliers	Catalog Number
MP Biomedicals	05225873

Database	Data ID
PubChem	167146

M. W.

488.883516

CAS

14696-77-6

Similarity

N/A

ID: 112798

dialuminium(3+) ion tritellurate

$$$$ Data

M. F.

Al2H6O12Te3

Suppliers	Catalog Number
MP Biomedicals	05225874

Database	Data ID
PubChem	168346

M. W.

634.803516

CAS

89537-50-3

Similarity

N/A

ID: 112799

iron(3+) ion sodium (phosphonatooxy)phosphonate

$$$$ Data

M. F.

FeNaO7P2

Suppliers	Catalog Number
MP Biomedicals	05225896

Database	Data ID
PubChem	24862

M. W.

252.778092

CAS

10045-87-1

Similarity

N/A

ID: 112800

palladium(2+) ion bis(nitrooxidane) tetraamine

$$$$ Data

M. F.

H12N6O6Pd

Suppliers	Catalog Number
Sigma Aldrich	423823 377384
MP Biomedicals	05225897
Alfa Aesar	35749

Database	Data ID
PubChem	166871

M. W.

298.55188

CAS

13601-08-6

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