Chembase list of 866358 unique molecular structures

benzyl N-[(3S)-5-oxooxolan-3-yl]carbamate

$$$$

M. F.

C12H13NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13886

Database

Data ID

M. W.

235.23592

CAS

87219-29-2

Similarity

N/A

ID: 799352

5-methoxy-3,4-dihydro-2H-1-benzopyran-3-amine hydrochloride

$$$$

M. F.

C10H14ClNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13887

Database

Data ID

M. W.

215.67666

CAS

117422-43-2

Similarity

N/A

ID: 799353

N-methoxy-N-methyloxane-4-carboxamide

$$$$

M. F.

C8H15NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13890 AJA-O27261

Database

Data ID

M. W.

173.2096

CAS

156353-01-4

Similarity

N/A

ID: 799354

(4S)-4-hydroxyoxolan-2-one

$$$$

M. F.

C4H6O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13891

Database

Data ID

M. W.

102.08864

CAS

7331-52-4

Similarity

N/A

ID: 799355

tert-butyl N-[(1s,4s)-4-hydroxycyclohexyl]carbamate

$$$$

M. F.

C11H21NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13892

Database

Data ID

M. W.

215.28934

CAS

224309-64-2

Similarity

N/A

ID: 799356

(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethan-1-amine

$$$$

M. F.

C8H7BrF3N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13893 AJA-O24819

Database

Data ID

M. W.

254.0470896

CAS

843608-53-7

Similarity

N/A

ID: 799357

(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethan-1-amine

$$$$

M. F.

C8H7BrF3N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O24818 AJA-O13894

Database

Data ID

M. W.

254.0470896

CAS

778565-93-8

Similarity

N/A

ID: 799358

(1R)-1-(2-bromophenyl)ethan-1-amine

$$$$

M. F.

C8H10BrN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13897

Database

Data ID

M. W.

200.0757

CAS

113974-24-6

Similarity

N/A

ID: 799359

benzyl (3R)-3-(hydroxymethyl)pyrrolidine-1-carboxylate

$$$$

M. F.

C13H17NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13898

Database

Data ID

M. W.

235.27898

CAS

192214-05-4

Similarity

N/A

ID: 799360

benzyl (3S)-3-(hydroxymethyl)pyrrolidine-1-carboxylate

$$$$

M. F.

C13H17NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13899

Database

Data ID

M. W.

235.27898

CAS

124391-76-0

Similarity

N/A

ID: 799361

tert-butyl (3R)-3-(bromomethyl)pyrrolidine-1-carboxylate

$$$$

M. F.

C10H18BrNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13900

Database

Data ID

M. W.

264.15942

CAS

1067230-65-2

Similarity

N/A

ID: 799362

(3S)-oxan-3-amine

$$$$

M. F.

C5H11NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13902

Database

Data ID

M. W.

101.14694

CAS

1071829-81-6

Similarity

N/A

ID: 799363

(3R)-oxolan-3-amine

$$$$

M. F.

C4H9NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13904

Database

Data ID

M. W.

87.12036

CAS

111769-26-7

Similarity

N/A

ID: 799364

(1R,2S)-2-methylcyclohexan-1-amine

$$$$

M. F.

C7H15N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13905

Database

Data ID

M. W.

113.2007

CAS

7003-32-9

Similarity

N/A

ID: 799365

(1s,4s)-4-methylcyclohexan-1-amine

$$$$

M. F.

C7H15N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13906

Database

Data ID

M. W.

113.2007

CAS

6321-23-9

Similarity

N/A

ID: 799366

tert-butyl 7-amino-4,4-dimethyl-1,2,3,4-tetrahydroquinoline-1-carboxylate

$$$$

M. F.

C16H24N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13907

Database

Data ID

M. W.

276.37396

CAS

873056-12-3

Similarity

N/A

ID: 799367

quinoline-4-carbonitrile

$$$$

M. F.

C10H6N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13908

Database

Data ID

M. W.

154.16804

CAS

2973-27-5

Similarity

N/A

ID: 799368

7-bromoquinolin-4-amine hydrochloride

$$$$

M. F.

C9H8BrClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13910

Database

Data ID

M. W.

259.53022

CAS

1187931-88-9

Similarity

N/A

ID: 799369

1,2,3,4-tetrahydroquinoline-3-carboxylic acid

$$$$

M. F.

C10H11NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30289 AJA-O13911

Database

Data ID

M. W.

177.19984

CAS

114527-53-6

Similarity

N/A

ID: 799370

3-bromo-1,2-dihydroquinolin-2-one

$$$$

M. F.

C9H6BrNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13915

Database

Data ID

M. W.

224.05404

CAS

939-16-2

Similarity

N/A

ID: 799371

4-bromo-1,2-dihydroquinolin-2-one

$$$$

M. F.

C9H6BrNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13917

Database

Data ID

M. W.

224.05404

CAS

938-39-6

Similarity

N/A

ID: 799372

4-bromo-1-methyl-1,2-dihydroquinolin-2-one

$$$$

M. F.

C10H8BrNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13918

Database

Data ID

M. W.

238.08062

CAS

941-72-0

Similarity

N/A

ID: 799373

4-chloro-N,N-dimethylquinolin-7-amine

$$$$

M. F.

C11H11ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13922

Database

Data ID

M. W.

206.67144

CAS

178984-46-8

Similarity

N/A

ID: 799374

1-[(tert-butoxy)carbonyl]-1,2,3,4-tetrahydroquinoline-7-carboxylic acid

$$$$

M. F.

C15H19NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13923

Database

Data ID

M. W.

277.31566

CAS

928772-51-4

Similarity

N/A

ID: 799375

methyl 1,2,3,4-tetrahydroquinoline-7-carboxylate

$$$$

M. F.

C11H13NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13924

Database

Data ID

M. W.

191.22642

CAS

597562-79-3

Similarity

N/A

ID: 799376

1,2,3,4-tetrahydroquinoline-7-carboxylic acid

$$$$

M. F.

C10H11NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13925

Database

Data ID

M. W.

177.19984

CAS

22048-88-0

Similarity

N/A

ID: 799377

3-bromo-6-nitroquinolin-4-amine

$$$$

M. F.

C9H6BrN3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13926

Database

Data ID

M. W.

268.06684

CAS

90224-83-2

Similarity

N/A

ID: 799378

4,4,6-trimethyl-1,2,3,4-tetrahydroquinoline

$$$$

M. F.

C12H17N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13927

Database

Data ID

M. W.

175.27008

CAS

32640-96-3

Similarity

N/A

ID: 799379

7-bromo-4,4-dimethyl-1,2,3,4-tetrahydroquinoline

$$$$

M. F.

C11H14BrN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13929

Database

Data ID

M. W.

240.13956

CAS

158326-77-3

Similarity

N/A

ID: 799380

7-bromo-4,4-dimethyl-1,2,3,4-tetrahydroquinolin-2-one

$$$$

M. F.

C11H12BrNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13930

Database

Data ID

M. W.

254.12308

CAS

185316-44-3

Similarity

N/A

ID: 799381

8-bromo-1,2,3,4-tetrahydroquinolin-2-one

$$$$

M. F.

C9H8BrNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13931

Database

Data ID

M. W.

226.06992

CAS

67805-68-9

Similarity

N/A

ID: 799382

tert-butyl 4-amino-1,2,3,4-tetrahydroquinoline-1-carboxylate

$$$$

M. F.

C14H20N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16854 AJA-O13932

Database

Data ID

M. W.

248.3208

CAS

944906-95-0

Similarity

N/A

ID: 799383

(3R)-thiomorpholine-3-carboxylic acid

$$$$

M. F.

C5H9NO2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13934

Database

Data ID

M. W.

147.19546

CAS

65527-54-0

Similarity

N/A

ID: 799384

tert-butyl (3S)-3-(aminomethyl)morpholine-4-carboxylate

$$$$

M. F.

C10H20N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13935 AJA-O28589

Database

Data ID

M. W.

216.2774

CAS

1187929-79-8

Similarity

N/A

ID: 799385

[(4-benzylmorpholin-2-yl)methyl](methyl)amine

$$$$

M. F.

C13H20N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13936

Database

Data ID

M. W.

220.3107

CAS

126645-75-8

Similarity

N/A

ID: 799386

tert-butyl (3R)-3-(aminomethyl)morpholine-4-carboxylate

$$$$

M. F.

C10H20N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O30370 AJA-O13937

Database

Data ID

M. W.

216.2774

CAS

1187929-33-4

Similarity

N/A

ID: 799387

tert-butyl (3S)-3-(hydroxymethyl)morpholine-4-carboxylate

$$$$

M. F.

C10H19NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13938 AJA-O28756

Database

Data ID

M. W.

217.26216

CAS

135065-76-8

Similarity

N/A

ID: 799388

tert-butyl (3R)-3-(hydroxymethyl)morpholine-4-carboxylate

$$$$

M. F.

C10H19NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13939

Database

Data ID

M. W.

217.26216

CAS

215917-99-0

Similarity

N/A

ID: 799389

tert-butyl (3S)-3-formylmorpholine-4-carboxylate

$$$$

M. F.

C10H17NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13940

Database

Data ID

M. W.

215.24628

CAS

218594-01-5

Similarity

N/A

ID: 799390

2-(morpholin-4-yl)prop-2-enoic acid

$$$$

M. F.

C7H11NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13941

Database

Data ID

M. W.

157.16714

CAS

64683-32-5

Similarity

N/A

ID: 799391

3-benzylmorpholine

$$$$

M. F.

C11H15NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13942

Database

Data ID

M. W.

177.2429

CAS

7684-27-7

Similarity

N/A

ID: 799392

5-aminopyrimidine-4-carboxylic acid

$$$$

M. F.

C5H5N3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13944

Database

Data ID

M. W.

139.1121

CAS

59950-53-7

Similarity

N/A

ID: 799393

ethyl 4-cyclobutyl-3-oxobutanoate

$$$$

M. F.

C10H16O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13951

Database

Data ID

M. W.

184.23224

CAS

885280-12-6

Similarity

N/A

ID: 799394

(azetidin-2-yl)methanamine

$$$$

M. F.

C4H10N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13956

Database

Data ID

M. W.

86.1356

CAS

103550-76-1

Similarity

N/A

ID: 799395

tert-butyl (2R)-2-methyl-1,4-diazepane-1-carboxylate

$$$$

M. F.

C11H22N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13958

Database

Data ID

M. W.

214.30458

CAS

1374130-05-8

Similarity

N/A

ID: 799396

methyl azetidine-2-carboxylate

$$$$

M. F.

C5H9NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13960

Database

Data ID

M. W.

115.13046

CAS

134419-57-1

Similarity

N/A

ID: 799397

tert-butyl 1-(aminomethyl)azetidine-3-carboxylate hydrochloride

$$$$

M. F.

C9H19ClN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13962

Database

Data ID

M. W.

222.71236

CAS

91188-15-7

Similarity

N/A

ID: 799398

3-(propan-2-yloxy)azetidine

$$$$

M. F.

C6H13NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13963

Database

Data ID

M. W.

115.17352

CAS

871791-79-6

Similarity

N/A

ID: 799399

tert-butyl (4S)-4-hydroxyazepane-1-carboxylate

$$$$

M. F.

C11H21NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13966

Database

Data ID

M. W.

215.28934

CAS

1174020-38-2

Similarity

N/A

ID: 799400

tert-butyl (4R)-4-hydroxyazepane-1-carboxylate

$$$$

M. F.

C11H21NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13967

Database

Data ID

M. W.

215.28934

CAS

1174020-39-3

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