Chembase list of 866358 unique molecular structures

ethyl 2-(piperidin-3-yl)acetate hydrochloride

$$$$ Data

M. F.

C9H18ClNO2

Suppliers	Catalog Number
Matrix Scientific	035947

Database	Data ID
PubChem	44118456

M. W.

207.69772

CAS

Similarity

N/A

ID: 33202

1-{[1,3]oxazolo[5,4-b]pyridin-2-yl}-1,4-diazepane

$$$$ Data

M. F.

C11H14N4O

Suppliers	Catalog Number
Matrix Scientific	035948

Database	Data ID
PubChem	25219113

M. W.

218.25506

CAS

Similarity

N/A

ID: 33203

1-{[1,3]oxazolo[5,4-b]pyridin-2-yl}piperazine

$$$$ Data

M. F.

C10H12N4O

Suppliers	Catalog Number
Matrix Scientific	035949

Database	Data ID
PubChem	22328789

M. W.

204.22848

CAS

Similarity

N/A

ID: 33204

1-{5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl}piperazine

$$$$ Data

M. F.

C11H14N4O

Suppliers	Catalog Number
Matrix Scientific	035950

Database	Data ID
PubChem	25219114

M. W.

218.25506

CAS

Similarity

N/A

ID: 33205

5-chloro-3-methylbenzene-1,2-diamine

$$$$ Data

M. F.

C7H9ClN2

Suppliers	Catalog Number
ChemBridge	4087918 4030835
Matrix Scientific	035951

Database	Data ID
PubChem	1512515

M. W.

156.61276

CAS

109671-52-5

Similarity

N/A

ID: 33206

4-chloro-2-methyl-6-nitroaniline

$$$$ Data More

M. F.

C7H7ClN2O2

Suppliers	Catalog Number
Alfa Aesar	B22253
Matrix Scientific	035952
Apollo Scientific	OR6914

Database	Data ID
PubChem	182355

M. W.

186.59568

CAS

62790-50-5

Similarity

N/A

ID: 33207

2-[(diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide

$$$$ Data

M. F.

C16H15N5OS

Suppliers	Catalog Number
Matrix Scientific	035953
Enamine	EN300-03733

Database	Data ID
PubChem	728570

M. W.

325.3882

CAS

49656-91-9

Similarity

N/A

ID: 33208

2-[(naphthalen-1-yl)amino]propanehydrazide

$$$$ Data

M. F.

C13H15N3O

Suppliers	Catalog Number
Matrix Scientific	035954

Database	Data ID
PubChem	25219115

M. W.

229.2777

CAS

Similarity

N/A

ID: 33209

3-chloro-N-[4-(hydrazinecarbonyl)phenyl]benzamide

$$$$ Data

M. F.

C14H12ClN3O2

Suppliers	Catalog Number
Matrix Scientific	035955

Database	Data ID
PubChem	25219116

M. W.

289.71698

CAS

Similarity

N/A

ID: 33210

4-chloro-N-[4-(hydrazinecarbonyl)phenyl]benzamide

$$$$ Data

M. F.

C14H12ClN3O2

Suppliers	Catalog Number
Matrix Scientific	035956

Database	Data ID
PubChem	180790

M. W.

289.71698

CAS

Similarity

N/A

ID: 33211

2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide

$$$$ Data

M. F.

C11H13N5OS

Suppliers	Catalog Number
Matrix Scientific	035957

Database	Data ID
PubChem	728573

M. W.

263.31882

CAS

Similarity

N/A

ID: 33212

N-[3-(hydrazinecarbonyl)phenyl]benzamide

$$$$ Data

M. F.

C14H13N3O2

Suppliers	Catalog Number
Matrix Scientific	035958

Database	Data ID
PubChem	803195

M. W.

255.27192

CAS

Similarity

N/A

ID: 33213

2-chloro-N-[4-(hydrazinecarbonyl)phenyl]benzamide

$$$$ Data

M. F.

C14H12ClN3O2

Suppliers	Catalog Number
Matrix Scientific	035959

Database	Data ID
PubChem	25219117

M. W.

289.71698

CAS

Similarity

N/A

ID: 33214

2-(3,5-dimethyl-1H-pyrazol-1-yl)acetohydrazide

$$$$ Data

M. F.

C7H12N4O

Suppliers	Catalog Number
Matrix Scientific	035960
Enamine	EN300-07651

Database	Data ID
PubChem	821228

M. W.

168.19638

CAS

64019-58-5

Similarity

N/A

ID: 33215

2-[(naphthalen-1-yl)amino]acetohydrazide

$$$$ Data

M. F.

C12H13N3O

Suppliers	Catalog Number
Matrix Scientific	035961

Database	Data ID
PubChem	4270369

M. W.

215.25112

CAS

Similarity

N/A

ID: 33216

3-(3,6-dichloro-9H-carbazol-9-yl)propanehydrazide

$$$$ Data

M. F.

C15H13Cl2N3O

Suppliers	Catalog Number
Matrix Scientific	035962
Enamine	EN300-110987

Database	Data ID
PubChem	766260

M. W.

322.18922

CAS

Similarity

N/A

ID: 33217

2-chloro-N-[3-(hydrazinecarbonyl)phenyl]benzamide

$$$$ Data

M. F.

C14H12ClN3O2

Suppliers	Catalog Number
Matrix Scientific	035963

Database	Data ID
PubChem	25219118

M. W.

289.71698

CAS

Similarity

N/A

ID: 33218

N-[3-(hydrazinecarbonyl)phenyl]-3-methylbenzamide

$$$$ Data

M. F.

C15H15N3O2

Suppliers	Catalog Number
Matrix Scientific	035964

Database	Data ID
PubChem	25219119

M. W.

269.2985

CAS

Similarity

N/A

ID: 33219

3-chloro-N-[3-(hydrazinecarbonyl)phenyl]benzamide

$$$$ Data

M. F.

C14H12ClN3O2

Suppliers	Catalog Number
Matrix Scientific	035965

Database	Data ID
PubChem	25219120

M. W.

289.71698

CAS

Similarity

N/A

ID: 33220

N-[3-(hydrazinecarbonyl)phenyl]-4-methylbenzamide

$$$$ Data

M. F.

C15H15N3O2

Suppliers	Catalog Number
Matrix Scientific	035966

Database	Data ID
PubChem	865909

M. W.

269.2985

CAS

Similarity

N/A

ID: 33221

2-[(3,4-dimethylphenyl)amino]acetohydrazide

$$$$ Data

M. F.

C10H15N3O

Suppliers	Catalog Number
Matrix Scientific	035967

Database	Data ID
PubChem	302665

M. W.

193.2456

CAS

Similarity

N/A

ID: 33222

2-(chloromethyl)-5-methyl-1,3,4-oxadiazole

$$$$ Data More

M. F.

C4H5ClN2O

Suppliers	Catalog Number
ChemBridge	4011029
Matrix Scientific	035968
Enamine	EN300-10689

Database	Data ID
PubChem	3826620

M. W.

132.5483

CAS

3914-42-9

Similarity

N/A

ID: 33223

2-(chloromethyl)-5-ethyl-1,3,4-oxadiazole

$$$$ Data

M. F.

C5H7ClN2O

Suppliers	Catalog Number
Matrix Scientific	035969
Enamine	EN300-25580
A&J Pharmtech	AJA-O23859

Database	Data ID
PubChem	16227319

M. W.

146.57488

CAS

3914-45-2

Similarity

N/A

ID: 33224

4-fluoro-N-[4-(hydrazinecarbonyl)phenyl]benzamide

$$$$ Data

M. F.

C14H12FN3O2

Suppliers	Catalog Number
Matrix Scientific	035970

Database	Data ID
PubChem	25219121

M. W.

273.2623832

CAS

Similarity

N/A

ID: 33225

2-[(3-methylphenyl)amino]acetohydrazide

$$$$ Data

M. F.

C9H13N3O

Suppliers	Catalog Number
Matrix Scientific	035971

Database	Data ID
PubChem	302674

M. W.

179.21902

CAS

Similarity

N/A

ID: 33226

N-[(2,4-dichlorophenyl)methyl]-3-nitroaniline

$$$$ Data

M. F.

C13H10Cl2N2O2

Suppliers	Catalog Number
Matrix Scientific	035972

Database	Data ID
PubChem	25219122

M. W.

297.1367

CAS

Similarity

N/A

ID: 33227

2-sulfanylidene-1,3-thiazolidin-4-one

$$$$ Data More

M. F.

C3H3NOS2

Suppliers	Catalog Number
Sigma Aldrich	118192 83700
MP Biomedicals	02156532 05217251
Alfa Aesar	A18293

Database	Data ID
Wikipedia	Rhodanine
PubChem	1201546

M. W.

133.19202

CAS

141-84-4

Similarity

N/A

ID: 33228

N-[(2,4-dichlorophenyl)methyl]-N-(3-nitrophenyl)acetamide

$$$$ Data

M. F.

C15H12Cl2N2O3

Suppliers	Catalog Number
Matrix Scientific	035974

Database	Data ID
PubChem	25219123

M. W.

339.17338

CAS

Similarity

N/A

ID: 33229

N-[(2,4-dichlorophenyl)methyl]-2,2,2-trifluoro-N-(3-nitrophenyl)acetamide

$$$$ Data

M. F.

C15H9Cl2F3N2O3

Suppliers	Catalog Number
Matrix Scientific	035975

Database	Data ID
PubChem	3925420

M. W.

393.1447696

CAS

Similarity

N/A

ID: 33230

methyl 4-{[(2,4-dichlorophenyl)methyl]amino}benzoate

$$$$ Data

M. F.

C15H13Cl2NO2

Suppliers	Catalog Number
Matrix Scientific	035976

Database	Data ID
PubChem	25219124

M. W.

310.17522

CAS

Similarity

N/A

ID: 33231

methyl 2-[(2,4,6-tribromophenyl)amino]acetate

$$$$ Data

M. F.

C9H8Br3NO2

Suppliers	Catalog Number
Matrix Scientific	035977

Database	Data ID
PubChem	25219125

M. W.

401.87732

CAS

Similarity

N/A

ID: 33232

3-hydrazinylbenzoic acid

$$$$ Data

M. F.

C7H8N2O2

Suppliers	Catalog Number
Alfa Aesar	B21462
Matrix Scientific	035978
Apollo Scientific	OR9870

Database	Data ID
PubChem	2736521

M. W.

152.15062

CAS

38235-71-1

Similarity

N/A

ID: 33233

2-[(5-{[(4-iodophenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acet...

$$$$ Data

M. F.

C17H17IN6OS

Suppliers	Catalog Number
Matrix Scientific	035979

Database	Data ID
PubChem	25219126

M. W.

480.32595

CAS

Similarity

N/A

ID: 33234

5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C15H12N6S

Suppliers	Catalog Number
Matrix Scientific	035980

Database	Data ID
PubChem	848904

M. W.

308.36098

CAS

Similarity

N/A

ID: 33235

2-{[5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

$$$$ Data

M. F.

C16H14ClN5OS

Suppliers	Catalog Number
Matrix Scientific	035981

Database	Data ID
PubChem	24206819

M. W.

359.83326

CAS

Similarity

N/A

ID: 33236

2-hydrazinylbenzoic acid

$$$$ Data

M. F.

C7H8N2O2

Suppliers	Catalog Number
Matrix Scientific	035982
Apollo Scientific	OR40525

Database	Data ID
PubChem	79223

M. W.

152.15062

CAS

5326-27-2

Similarity

N/A

ID: 33237

2-[(5-{[(4-iodo-2-methylphenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulf...

$$$$ Data

M. F.

C18H19IN6OS

Suppliers	Catalog Number
Matrix Scientific	035983

Database	Data ID
PubChem	25219127

M. W.

494.35253

CAS

Similarity

N/A

ID: 33238

ethyl 2-[(3-methylphenyl)amino]acetate

$$$$ Data

M. F.

C11H15NO2

Suppliers	Catalog Number
Matrix Scientific	035984

Database	Data ID
PubChem	302673

M. W.

193.2423

CAS

Similarity

N/A

ID: 33239

5-bromo-2-methoxybenzohydrazide

$$$$ Data

M. F.

C8H9BrN2O2

Suppliers	Catalog Number
Matrix Scientific	035985

Database	Data ID
PubChem	17607844

M. W.

245.07326

CAS

Similarity

N/A

ID: 33240

3-amino-1-(2,4-dichlorophenyl)thiourea

$$$$ Data

M. F.

C7H7Cl2N3S

Suppliers	Catalog Number
Alfa Aesar	L12599
Matrix Scientific	035986

Database	Data ID
PubChem	1810299

M. W.

236.12158

CAS

13124-11-3

Similarity

N/A

ID: 33241

2-[(3-methylphenyl)amino]propanehydrazide

$$$$ Data

M. F.

C10H15N3O

Suppliers	Catalog Number
Matrix Scientific	035987

Database	Data ID
PubChem	24029215

M. W.

193.2456

CAS

Similarity

N/A

ID: 33242

3-(3,5-dimethyl-1H-pyrazol-1-yl)propanehydrazide

$$$$ Data

M. F.

C8H14N4O

Suppliers	Catalog Number
ChemBridge	3020243
Matrix Scientific	035988

Database	Data ID
PubChem	917049

M. W.

182.22296

CAS

313050-27-0

Similarity

N/A

ID: 33243

3-(hydrazinecarbonyl)-N-(4-methylphenyl)propanamide

$$$$ Data

M. F.

C11H15N3O2

Suppliers	Catalog Number
Matrix Scientific	035989

Database	Data ID
PubChem	23917691

M. W.

221.2557

CAS

Similarity

N/A

ID: 33244

5-{[(4-chlorophenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C15H13ClN4S

Suppliers	Catalog Number
Matrix Scientific	035990

Database	Data ID
PubChem	13263400

M. W.

316.80852

CAS

Similarity

N/A

ID: 33245

2-(3-methyl-1H-pyrazol-1-yl)acetohydrazide

$$$$ Data

M. F.

C6H10N4O

Suppliers	Catalog Number
Matrix Scientific	035991

Database	Data ID
PubChem	3682963

M. W.

154.1698

CAS

Similarity

N/A

ID: 33246

2-[(4-chlorophenyl)amino]acetohydrazide

$$$$ Data

M. F.

C8H10ClN3O

Suppliers	Catalog Number
Matrix Scientific	035992

Database	Data ID
PubChem	302647

M. W.

199.6375

CAS

2371-31-5

Similarity

N/A

ID: 33247

2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

$$$$ Data

M. F.

C11H12BrN5OS

Suppliers	Catalog Number
Matrix Scientific	035993

Database	Data ID
PubChem	7021003

M. W.

342.21488

CAS

Similarity

N/A

ID: 33248

N-(4-bromophenyl)-3-(hydrazinecarbonyl)propanamide

$$$$ Data

M. F.

C10H12BrN3O2

Suppliers	Catalog Number
Matrix Scientific	035994

Database	Data ID
PubChem	25219128

M. W.

286.12518

CAS

Similarity

N/A

ID: 33249

2-[(4-iodophenyl)amino]acetohydrazide

$$$$ Data

M. F.

C8H10IN3O

Suppliers	Catalog Number
Matrix Scientific	035995

Database	Data ID
PubChem	758258

M. W.

291.08897

CAS

Similarity

N/A

ID: 33250

(E)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]hydroxylamine

$$$$ Data

M. F.

C6H9N3O

Suppliers	Catalog Number
Matrix Scientific	035996

Database	Data ID
PubChem	9568655

M. W.

139.15516

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