Chembase list of 866358 unique molecular structures

6-(2-aminophenyl)pyridine-3-carbonitrile

$$$$

M. F.

C12H9N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30069

Database

Data ID

M. W.

195.21996

CAS

885277-25-8

Similarity

N/A

ID: 811052

2-(5-methoxypyridin-2-yl)aniline

$$$$

M. F.

C12H12N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30070

Database

Data ID

M. W.

200.23648

CAS

885280-91-1

Similarity

N/A

ID: 811053

5-chloro-2,3-dihydro-1-benzofuran-3-amine

$$$$

M. F.

C8H8ClNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30072

Database

Data ID

M. W.

169.60822

CAS

769-21-1

Similarity

N/A

ID: 811054

5-fluoro-2,3-dihydro-1-benzofuran-3-amine

$$$$

M. F.

C8H8FNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30073

Database

Data ID

M. W.

153.1536232

CAS

885280-83-1

Similarity

N/A

ID: 811055

5-bromo-2,3-dihydro-1H-indol-3-one

$$$$

M. F.

C8H6BrNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30076

Database

Data ID

M. W.

212.04334

CAS

6402-02-4

Similarity

N/A

ID: 811056

2-amino-7-bromo-3,4-dihydroquinazolin-4-one

$$$$

M. F.

C8H6BrN3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30078

Database

Data ID

M. W.

240.05674

CAS

885277-56-5

Similarity

N/A

ID: 811057

1-(3-aminophenyl)-2-bromoethan-1-one

$$$$

M. F.

C8H8BrNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30079

Database

Data ID

M. W.

214.05922

CAS

57946-55-1

Similarity

N/A

ID: 811058

methyl 4-(3-aminophenyl)-1,3-thiazole-2-carboxylate

$$$$

M. F.

C11H10N2O2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30080

Database

Data ID

M. W.

234.2743

CAS

885279-72-1

Similarity

N/A

ID: 811059

methyl 4-(3-nitrophenyl)-1,3-thiazole-2-carboxylate

$$$$

M. F.

C11H8N2O4S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30081

Database

Data ID

M. W.

264.25722

CAS

885279-68-5

Similarity

N/A

ID: 811060

7-methoxyquinazolin-4-amine

$$$$

M. F.

C9H9N3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30088

Database

Data ID

M. W.

175.18726

CAS

21560-97-4

Similarity

N/A

ID: 811061

1-phenyl-3-propyl-1H-pyrazol-5-amine

$$$$

M. F.

C12H15N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30092

Database

Data ID

M. W.

201.2676

CAS

1017781-36-0

Similarity

N/A

ID: 811062

1-(3-bromophenyl)-3-phenyl-1H-pyrazol-5-amine

$$$$

M. F.

C15H12BrN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30093

Database

Data ID

M. W.

314.17988

CAS

890764-15-5

Similarity

N/A

ID: 811063

3-(3-fluorophenyl)-1-phenyl-1H-pyrazol-5-amine

$$$$

M. F.

C15H12FN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30094

Database

Data ID

M. W.

253.2742832

CAS

1015844-72-0

Similarity

N/A

ID: 811064

3-(4-iodophenyl)-1-phenyl-1H-pyrazol-5-amine

$$$$

M. F.

C15H12IN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30096

Database

Data ID

M. W.

361.18035

CAS

1017781-34-8

Similarity

N/A

ID: 811065

prop-2-en-1-yl 2-amino-3-[1-(triphenylmethyl)-1H-imidazol-4-yl]propanoate

$$$$

M. F.

C28H27N3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30099

Database

Data ID

M. W.

437.53288

CAS

Similarity

N/A

ID: 811066

5-bromo-1,3-benzothiazole-2-carbaldehyde

$$$$

M. F.

C8H4BrNOS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30100

Database

Data ID

M. W.

242.09246

CAS

885279-64-1

Similarity

N/A

ID: 811067

(1,3-thiazol-4-yl)methanamine hydrochloride

$$$$

M. F.

C4H7ClN2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30102

Database

Data ID

M. W.

150.62978

CAS

117043-86-4

Similarity

N/A

ID: 811068

3-(bromomethyl)-1-methyl-1H-pyrazole

$$$$

M. F.

C5H7BrN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30103

Database

Data ID

M. W.

175.02648

CAS

102846-13-9

Similarity

N/A

ID: 811069

ethyl 2-amino-3-(1H-imidazol-5-yl)propanoate hydrochloride

$$$$

M. F.

C8H14ClN3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30104

Database

Data ID

M. W.

219.66866

CAS

211491-78-0

Similarity

N/A

ID: 811070

ethyl (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate hydrochloride

$$$$

M. F.

C8H14ClN3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30105

Database

Data ID

M. W.

219.66866

CAS

184295-36-1

Similarity

N/A

ID: 811071

ethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate hydrochloride

$$$$

M. F.

C8H14ClN3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30106

Database

Data ID

M. W.

219.66866

CAS

211491-78-0

Similarity

N/A

ID: 811072

(2-phenylphenyl)hydrazine hydrochloride

$$$$

M. F.

C12H13ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30108

Database

Data ID

M. W.

220.69802

CAS

109221-95-6

Similarity

N/A

ID: 811073

(3-phenylphenyl)hydrazine hydrochloride

$$$$

M. F.

C12H13ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30109

Database

Data ID

M. W.

220.69802

CAS

109221-88-7

Similarity

N/A

ID: 811074

(3-ethylphenyl)hydrazine hydrochloride

$$$$

M. F.

C8H13ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30110

Database

Data ID

M. W.

172.65522

CAS

60481-49-4

Similarity

N/A

ID: 811075

(2-propylphenyl)hydrazine hydrochloride

$$$$

M. F.

C9H15ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30111

Database

Data ID

M. W.

186.6818

CAS

Similarity

N/A

ID: 811076

(4-chloronaphthalen-1-yl)hydrazine hydrochloride

$$$$

M. F.

C10H10Cl2N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30112

Database

Data ID

M. W.

229.1058

CAS

101851-40-5

Similarity

N/A

ID: 811077

(3-phenoxyphenyl)hydrazine hydrochloride

$$$$

M. F.

C12H13ClN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30114

Database

Data ID

M. W.

236.69742

CAS

109221-90-1

Similarity

N/A

ID: 811078

[4-(propan-2-yloxy)phenyl]hydrazine hydrochloride

$$$$

M. F.

C9H15ClN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30115

Database

Data ID

M. W.

202.6812

CAS

104033-62-7

Similarity

N/A

ID: 811079

N-methyl-3-phenoxyaniline

$$$$

M. F.

C13H13NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30116

Database

Data ID

M. W.

199.24842

CAS

13024-17-4

Similarity

N/A

ID: 811080

1-(furan-3-yl)ethan-1-amine

$$$$

M. F.

C6H9NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30120

Database

Data ID

M. W.

111.14176

CAS

252372-09-1

Similarity

N/A

ID: 811081

methyl[(1,2-oxazol-3-yl)methyl]amine hydrochloride

$$$$

M. F.

C5H9ClN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30124

Database

Data ID

M. W.

148.59076

CAS

Similarity

N/A

ID: 811082

1-[(tert-butoxy)carbonyl]-4-[(prop-2-en-1-yloxy)carbonyl]piperazine-2-carboxylic...

$$$$

M. F.

C14H22N2O6

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30126

Database

Data ID

M. W.

314.33428

CAS

221524-06-7

Similarity

N/A

ID: 811083

tert-butyl 3-(1-aminoethyl)-1H-indole-1-carboxylate

$$$$

M. F.

C15H20N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30127

Database

Data ID

M. W.

260.3315

CAS

317830-77-6

Similarity

N/A

ID: 811084

[2-fluoro-5-(trifluoromethyl)phenyl]hydrazine hydrochloride

$$$$

M. F.

C7H7ClF4N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30130

Database

Data ID

M. W.

230.5904928

CAS

Similarity

N/A

ID: 811085

1-(4-hydrazinylphenyl)imidazolidin-2-one hydrochloride

$$$$

M. F.

C9H13ClN4O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30131

Database

Data ID

M. W.

228.67872

CAS

Similarity

N/A

ID: 811086

N-methyl-1,3-thiazol-5-amine hydrochloride

$$$$

M. F.

C4H7ClN2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30132

Database

Data ID

M. W.

150.62978

CAS

131052-46-5

Similarity

N/A

ID: 811087

3-[(methylamino)methyl]-4,5-dihydro-1H-1,2,4-triazol-5-one hydrochloride

$$$$

M. F.

C4H9ClN4O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30133

Database

Data ID

M. W.

164.59346

CAS

Similarity

N/A

ID: 811088

1-(1,2-oxazol-5-yl)ethan-1-amine hydrochloride

$$$$

M. F.

C5H9ClN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30134

Database

Data ID

M. W.

148.59076

CAS

Similarity

N/A

ID: 811089

4-hydrazinylphenyl 2,2-dimethylpropanoate hydrochloride

$$$$

M. F.

C11H17ClN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30135

Database

Data ID

M. W.

244.71788

CAS

Similarity

N/A

ID: 811090

methyl[(1,3-thiazol-4-yl)methyl]amine hydrochloride

$$$$

M. F.

C5H9ClN2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30138

Database

Data ID

M. W.

164.65636

CAS

Similarity

N/A

ID: 811091

methyl[(1,2-oxazol-5-yl)methyl]amine

$$$$

M. F.

C5H8N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30140

Database

Data ID

M. W.

112.12982

CAS

401647-20-9

Similarity

N/A

ID: 811092

methyl[(1,3-thiazol-5-yl)methyl]amine hydrochloride

$$$$

M. F.

C5H9ClN2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30143

Database

Data ID

M. W.

164.65636

CAS

Similarity

N/A

ID: 811093

tert-butyl 2-[3-(aminomethyl)phenyl]acetate

$$$$

M. F.

C13H19NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30144

Database

Data ID

M. W.

221.29546

CAS

479586-24-8

Similarity

N/A

ID: 811094

tert-butyl 2-[4-({[(2-{[({4-[2-(tert-butoxy)-2-oxoethyl]phenyl}methyl)amino]oxy}...

$$$$

M. F.

C28H36N2O8

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30145

Database

Data ID

M. W.

528.59404

CAS

Similarity

N/A

ID: 811095

1-[(tert-butoxy)carbonyl]-6-phenylpiperidine-3-carboxylic acid

$$$$

M. F.

C17H23NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30146

Database

Data ID

M. W.

305.36882

CAS

885275-13-8

Similarity

N/A

ID: 811096

1-[(tert-butoxy)carbonyl]-2-phenylpiperidine-3-carboxylic acid

$$$$

M. F.

C17H23NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30147

Database

Data ID

M. W.

305.36882

CAS

885275-18-3

Similarity

N/A

ID: 811097

2-(phenoxymethyl)morpholine

$$$$

M. F.

C11H15NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30148

Database

Data ID

M. W.

193.2423

CAS

167273-56-5

Similarity

N/A

ID: 811098

tert-butyl 3-[2-amino-3-oxo-3-(prop-2-en-1-yloxy)propyl]-1H-indole-1-carboxylate

$$$$

M. F.

C19H24N2O4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30149

Database

Data ID

M. W.

344.40486

CAS

Similarity

N/A

ID: 811099

(4-phenylmorpholin-2-yl)methanamine

$$$$

M. F.

C11H16N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30150

Database

Data ID

M. W.

192.25754

CAS

112913-99-2

Similarity

N/A

ID: 811100

3-tert-butyl 1-prop-2-en-1-yl piperazine-1,3-dicarboxylate

$$$$

M. F.

C13H22N2O4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30151

Database

Data ID

M. W.

270.32478

CAS

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