Chembase list of 866358 unique molecular structures

2-[4-(trifluoromethyl)pyridin-2-yl]ethan-1-amine

$$$$

M. F.

C8H9F3N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38162

Database

Data ID

M. W.

190.1656696

CAS

1060805-59-5

Similarity

N/A

ID: 815752

2-[2-(trifluoromethyl)pyridin-4-yl]acetic acid

$$$$

M. F.

C8H6F3NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38163

Database

Data ID

M. W.

205.1339496

CAS

1008737-00-5

Similarity

N/A

ID: 815753

5-amino-2-chloropyridine-4-carbaldehyde

$$$$

M. F.

C6H5ClN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38164

Database

Data ID

M. W.

156.5697

CAS

1060804-23-0

Similarity

N/A

ID: 815754

5-nitro-2-(trifluoromethyl)pyridin-4-ol

$$$$

M. F.

C6H3F3N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38165

Database

Data ID

M. W.

208.0948296

CAS

438554-44-0

Similarity

N/A

ID: 815755

5-nitro-2-(trifluoromethyl)pyridin-4-amine

$$$$

M. F.

C6H4F3N3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38167

Database

Data ID

M. W.

207.1100696

CAS

438564-36-4

Similarity

N/A

ID: 815756

tert-butyl N-[(1R)-2-amino-1-phenylethyl]carbamate

$$$$

M. F.

C13H20N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38170

Database

Data ID

M. W.

236.3101

CAS

137102-65-9

Similarity

N/A

ID: 815757

ethyl 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carboxylate

$$$$

M. F.

C13H19BO5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38172

Database

Data ID

M. W.

266.09796

CAS

1073338-93-7

Similarity

N/A

ID: 815758

5-chloro-2-methoxypyridine-4-carbaldehyde

$$$$

M. F.

C7H6ClNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38173

Database

Data ID

M. W.

171.58104

CAS

1060810-36-7

Similarity

N/A

ID: 815759

2-amino-6-chloro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

$$$$

M. F.

C11H12ClNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38176

Database

Data ID

M. W.

225.67148

CAS

74444-73-8

Similarity

N/A

ID: 815760

ethyl 2-[(3R)-piperidin-3-yl]acetate

$$$$

M. F.

C9H17NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38177

Database

Data ID

M. W.

171.23678

CAS

188883-57-0

Similarity

N/A

ID: 815761

ethyl 2-[(3S)-piperidin-3-yl]acetate

$$$$

M. F.

C9H17NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38178

Database

Data ID

M. W.

171.23678

CAS

188883-58-1

Similarity

N/A

ID: 815762

2-(piperazin-1-yl)quinoxaline

$$$$

M. F.

C12H14N4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38179

Database

Data ID

M. W.

214.26636

CAS

55686-91-4

Similarity

N/A

ID: 815763

6-methylpyridine-3-sulfonyl chloride

$$$$

M. F.

C6H6ClNO2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38183

Database

Data ID

M. W.

191.63534

CAS

478264-00-5

Similarity

N/A

ID: 815764

rel-(1R,2R)-2-aminocyclohexan-1-ol hydrochloride

$$$$

M. F.

C6H14ClNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38193

Database

Data ID

M. W.

151.63446

CAS

13374-30-6

Similarity

N/A

ID: 815765

[(1S)-1-isocyanatoethyl]benzene

$$$$

M. F.

C9H9NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38212

Database

Data ID

M. W.

147.17386

CAS

14649-03-7

Similarity

N/A

ID: 815766

rac-(2R)-2-amino-3-(4-bromophenyl)propanoic acid

$$$$

M. F.

C9H10BrNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38220

Database

Data ID

M. W.

244.0852

CAS

14091-15-7

Similarity

N/A

ID: 815767

rac-(2R)-2-amino-3-(4-chlorophenyl)propanoic acid

$$$$

M. F.

C9H10ClNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38222

Database

Data ID

M. W.

199.6342

CAS

7424-00-2

Similarity

N/A

ID: 815768

(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid

$$$$

M. F.

C10H13NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38223

Database

Data ID

M. W.

195.21512

CAS

6230/11/1

Similarity

N/A

ID: 815769

(3S)-3-methylpiperidine

$$$$

M. F.

C6H13N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38301

Database

Data ID

M. W.

99.17412

CAS

17305-22-5

Similarity

N/A

ID: 815770

(2R)-2-amino-2-phenylacetic acid

$$$$

M. F.

C8H9NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38415

Database

Data ID

M. W.

151.16256

CAS

875-74-1

Similarity

N/A

ID: 815771

3-phenylpropan-1-aminium

$$$$

M. F.

C9H14N+

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38422

Database

Data ID

M. W.

136.21416

CAS

2038-57-5

Similarity

N/A

ID: 815772

4-methoxybut-3-en-2-one

$$$$

M. F.

C5H8O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38425

Database

Data ID

M. W.

100.11582

CAS

4652-27-1

Similarity

N/A

ID: 815773

(2R)-2-amino-2-(3-hydroxyphenyl)acetic acid

$$$$

M. F.

C8H9NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38449

Database

Data ID

M. W.

167.16196

CAS

25698-27-5

Similarity

N/A

ID: 815774

methyl (2S)-2-amino-3-phenylpropanoate hydrochloride

$$$$

M. F.

C10H14ClNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38461

Database

Data ID

M. W.

215.67666

CAS

7524-50-7

Similarity

N/A

ID: 815775

6-methoxyquinolin-4-ol

$$$$

M. F.

C10H9NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38484

Database

Data ID

M. W.

175.18396

CAS

13788-72-2

Similarity

N/A

ID: 815776

1-benzyl-1H-indole

$$$$

M. F.

C15H13N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38488

Database

Data ID

M. W.

207.27042

CAS

3377-71-7

Similarity

N/A

ID: 815777

5-bromo-1,3-thiazol-2-amine

$$$$

M. F.

C3H3BrN2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38496

Database

Data ID

M. W.

179.03832

CAS

3034-22-8

Similarity

N/A

ID: 815778

2,2,2-trifluoro-1-(4-methoxyphenyl)ethan-1-one

$$$$

M. F.

C9H7F3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38502

Database

Data ID

M. W.

204.1458896

CAS

711-38-6

Similarity

N/A

ID: 815779

2-(cyanosulfanyl)-1-phenylethan-1-one

$$$$

M. F.

C9H7NOS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38509

Database

Data ID

M. W.

177.22298

CAS

5399-30-4

Similarity

N/A

ID: 815780

1,3-diethyl 2-(2-cyanoethyl)-2-acetamidopropanedioate

$$$$

M. F.

C12H18N2O5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38510

Database

Data ID

M. W.

270.28172

CAS

5440-42-6

Similarity

N/A

ID: 815781

4-(4-methoxyphenyl)-4-oxobut-2-enoic acid

$$$$

M. F.

C11H10O4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38513

Database

Data ID

M. W.

206.1947

CAS

5711-41-1

Similarity

N/A

ID: 815782

1-butylpyrrolidin-2-one

$$$$

M. F.

C8H15NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38516

Database

Data ID

M. W.

141.2108

CAS

3470-98-2

Similarity

N/A

ID: 815783

1-(acetyloxy)-1H-indol-3-yl acetate

$$$$

M. F.

C12H11NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38530

Database

Data ID

M. W.

233.22004

CAS

16800-67-2

Similarity

N/A

ID: 815784

ethyl (2E)-2-(N-hydroxyimino)-2-(pyridin-2-yl)acetate

$$$$

M. F.

C9H10N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38542

Database

Data ID

M. W.

194.1873

CAS

Similarity

N/A

ID: 815785

5-chloro-2,8-dimethylquinolin-4-ol

$$$$

M. F.

C11H10ClNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38547

Database

Data ID

M. W.

207.6562

CAS

21629-50-5

Similarity

N/A

ID: 815786

2-(chloromethyl)quinoline

$$$$

M. F.

C10H8ClN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38548

Database

Data ID

M. W.

177.63022

CAS

4377-41-7

Similarity

N/A

ID: 815787

2-(2-chloro-4-nitrophenyl)acetonitrile

$$$$

M. F.

C8H5ClN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38562

Database

Data ID

M. W.

196.5905

CAS

89277-99-6

Similarity

N/A

ID: 815788

N-(2-methyl-5-nitrophenyl)acetamide

$$$$

M. F.

C9H10N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38565

Database

Data ID

M. W.

194.1873

CAS

2879-79-0

Similarity

N/A

ID: 815789

ethyl 2-cyano-3-(4-methoxyphenyl)prop-2-enoate

$$$$

M. F.

C13H13NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38571

Database

Data ID

M. W.

231.24722

CAS

Similarity

N/A

ID: 815790

tert-butyl 2-bromobenzoate

$$$$

M. F.

C11H13BrO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38572

Database

Data ID

M. W.

257.12372

CAS

55666-42-7

Similarity

N/A

ID: 815791

2-hydroxy-2-(4-methoxyphenyl)propanoic acid

$$$$

M. F.

C10H12O4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38574

Database

Data ID

M. W.

196.19988

CAS

91121-61-8

Similarity

N/A

ID: 815792

3-methyl-1H-pyrrole-2-carbaldehyde

$$$$

M. F.

C6H7NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38576

Database

Data ID

M. W.

109.12588

CAS

24014-18-4

Similarity

N/A

ID: 815793

3,4-dimethyl-1H-pyrrole-2-carbaldehyde

$$$$

M. F.

C7H9NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38577

Database

Data ID

M. W.

123.15246

CAS

19713-89-4

Similarity

N/A

ID: 815794

2,4-diethyl 3-methyl-1H-pyrrole-2,4-dicarboxylate

$$$$

M. F.

C11H15NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38579

Database

Data ID

M. W.

225.2411

CAS

5448-16-8

Similarity

N/A

ID: 815795

2-amino-2-(furan-2-yl)acetic acid

$$$$

M. F.

C6H7NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38580

Database

Data ID

M. W.

141.12468

CAS

17119-54-9

Similarity

N/A

ID: 815796

3-hydroxy-4-methoxy-2-nitrobenzaldehyde

$$$$

M. F.

C8H7NO5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38582

Database

Data ID

M. W.

197.14488

CAS

6284-92-0

Similarity

N/A

ID: 815797

N-(methoxymethanethioyl)hydrazin-1-imine

$$$$

M. F.

C2H5N3OS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38584

Database

Data ID

M. W.

119.1456

CAS

44387-06-6

Similarity

N/A

ID: 815798

ethyl 4-(4-chlorophenyl)-4-oxobutanoate

$$$$

M. F.

C12H13ClO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38587

Database

Data ID

M. W.

240.68282

CAS

53503-49-4

Similarity

N/A

ID: 815799

(1-methoxy-2-phenylethylidene)azanylium chloride

$$$$

M. F.

C9H10ClNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38593

Database

Data ID

M. W.

183.6348

CAS

39496-45-2

Similarity

N/A

ID: 815800

2-amino-3-(3,4-dimethoxyphenyl)propanoic acid

$$$$

M. F.

C11H15NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O38599

Database

Data ID

M. W.

225.2411

CAS

55-59-4

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