Chembase list of 866358 unique molecular structures

[2-(cyclohex-1-en-1-yl)ethyl](propyl)amine hydrochloride

$$$$ Data

M. F.

C11H22ClN

Suppliers	Catalog Number
Matrix Scientific	024149

Database	Data ID
PubChem	16641248

M. W.

203.75208

CAS

Similarity

N/A

ID: 21802

[2-(cyclohex-1-en-1-yl)ethyl][(2-methylphenyl)methyl]amine hydrochloride

$$$$ Data

M. F.

C16H24ClN

Suppliers	Catalog Number
Matrix Scientific	024150

Database	Data ID
PubChem	16641249

M. W.

265.82146

CAS

Similarity

N/A

ID: 21803

5-methyl-1H-pyrazole-3-carbohydrazide

$$$$ Data More

M. F.

C5H8N4O

Suppliers	Catalog Number
Matrix Scientific	024151
Key Organics	7Y-0813
Maybridge	SPB01219

Database	Data ID
PubChem	737234

M. W.

140.14322

CAS

40535-14-6

Similarity

N/A

ID: 21804

2-(4-benzylpiperazine-1-carbonyl)benzoic acid

$$$$ Data

M. F.

C19H20N2O3

Suppliers	Catalog Number
Matrix Scientific	024152

Database	Data ID
PubChem	904042

M. W.

324.3737

CAS

Similarity

N/A

ID: 21805

[(4-methylphenyl)methyl](1-phenylethyl)amine hydrochloride

$$$$ Data

M. F.

C16H20ClN

Suppliers	Catalog Number
Matrix Scientific	024153

Database	Data ID
PubChem	15945718

M. W.

261.7897

CAS

Similarity

N/A

ID: 21806

N-(cyclopropylmethyl)cyclohexanamine hydrochloride

$$$$ Data

M. F.

C10H20ClN

Suppliers	Catalog Number
Matrix Scientific	024154

Database	Data ID
PubChem	16641250

M. W.

189.7255

CAS

Similarity

N/A

ID: 21807

(1-phenylethyl)(propyl)amine hydrochloride

$$$$ Data

M. F.

C11H18ClN

Suppliers	Catalog Number
Matrix Scientific	024155

Database	Data ID
PubChem	16641251

M. W.

199.72032

CAS

Similarity

N/A

ID: 21808

2-(4,5-dibromo-2-methoxyphenoxy)acetic acid

$$$$ Data

M. F.

C9H8Br2O4

Suppliers	Catalog Number
Matrix Scientific	024156

Database	Data ID
PubChem	729923

M. W.

339.96542

CAS

Similarity

N/A

ID: 21809

[2-(cyclohex-1-en-1-yl)ethyl][(4-methoxyphenyl)methyl]amine hydrochloride

$$$$ Data

M. F.

C16H24ClNO

Suppliers	Catalog Number
Matrix Scientific	024157

Database	Data ID
PubChem	2904728

M. W.

281.82086

CAS

Similarity

N/A

ID: 21810

4-(4-methylpiperazin-1-yl)-4-oxobutanoic acid

$$$$ Data

M. F.

C9H16N2O3

Suppliers	Catalog Number
Matrix Scientific	024158

Database	Data ID
PubChem	739318

M. W.

200.23494

CAS

72547-44-5

Similarity

N/A

ID: 21811

2,4-dibromophenol

$$$$ Data More

M. F.

C6H4Br2O

Suppliers	Catalog Number
Sigma Aldrich	258164 442312
MP Biomedicals	05209975
Alfa Aesar	B23394

Database	Data ID
PubChem	12005

M. W.

251.90336

CAS

615-58-7

Similarity

N/A

ID: 21812

4-bromo-2-chlorophenol

$$$$ Data More

M. F.

C6H4BrClO

Suppliers	Catalog Number
Sigma Aldrich	167789
MP Biomedicals	05204497
Alfa Aesar	B24803

Database	Data ID
PubChem	19859

M. W.

207.45236

CAS

3964-56-5

Similarity

N/A

ID: 21813

2-bromo-4-methylphenol

$$$$ Data More

M. F.

C7H7BrO

Suppliers	Catalog Number
Sigma Aldrich	B72809
Alfa Aesar	B21701
Matrix Scientific	024161

Database	Data ID
PubChem	23109

M. W.

187.03388

CAS

6627-55-0

Similarity

N/A

ID: 21814

2,4-dibromo-6-methylphenol

$$$$ Data

M. F.

C7H6Br2O

Suppliers	Catalog Number
Matrix Scientific	024162

Database	Data ID
PubChem	11861

M. W.

265.92994

CAS

Similarity

N/A

ID: 21815

2-(4-benzylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid

$$$$ Data

M. F.

C19H26N2O3

Suppliers	Catalog Number
Matrix Scientific	024163

Database	Data ID
PubChem	4092937

M. W.

330.42134

CAS

Similarity

N/A

ID: 21816

2-bromo-4-phenylphenol

$$$$ Data

M. F.

C12H9BrO

Suppliers	Catalog Number
Matrix Scientific	024164
Life Chemicals	F0345-0560

Database	Data ID
PubChem	27297

M. W.

249.10326

CAS

92-03-5

Similarity

N/A

ID: 21817

2-bromo-4-ethylphenol

$$$$ Data

M. F.

C8H9BrO

Suppliers	Catalog Number
Matrix Scientific	024165

Database	Data ID
PubChem	16641252

M. W.

201.06046

CAS

64080-15-5

Similarity

N/A

ID: 21818

2-bromo-4-tert-butylphenol

$$$$ Data More

M. F.

C10H13BrO

Suppliers	Catalog Number
Matrix Scientific	024167
Apollo Scientific	OR8716
Chemik	CHB83911

Database	Data ID
PubChem	75147

M. W.

229.11362

CAS

2198-66-5

Similarity

N/A

ID: 21819

2-bromo-4-(propan-2-yl)phenol

$$$$ Data

M. F.

C9H11BrO

Suppliers	Catalog Number
Matrix Scientific	024168

Database	Data ID
PubChem	14969173

M. W.

215.08704

CAS

Similarity

N/A

ID: 21820

1-bromonaphthalen-2-ol

$$$$ Data More

M. F.

C10H7BrO

Suppliers	Catalog Number
Sigma Aldrich	B73201
Alfa Aesar	A18692
Matrix Scientific	024169

Database	Data ID
PubChem	11316

M. W.

223.06598

CAS

573-97-7

Similarity

N/A

ID: 21821

N-(2-hydroxyphenyl)acetamide

$$$$ Data More

M. F.

C8H9NO2

Suppliers	Catalog Number
Sigma Aldrich	A7000 00340
MP Biomedicals	05211371
Alfa Aesar	B21264

Database	Data ID
PubChem	11972

M. W.

151.16256

CAS

614-80-2

Similarity

N/A

ID: 21822

ethyl 5-bromo-2-hydroxybenzoate

$$$$ Data

M. F.

C9H9BrO3

Suppliers	Catalog Number
Matrix Scientific	024171
Key Organics	LG-0705

Database	Data ID
PubChem	4416107

M. W.

245.06996

CAS

37540-59-3

Similarity

N/A

ID: 21823

methyl 5-bromo-2-hydroxybenzoate

$$$$ Data More

M. F.

C8H7BrO3

Suppliers	Catalog Number
Sigma Aldrich	124621
Matrix Scientific	024172
Key Organics	JS-078C

Database	Data ID
PubChem	77683

M. W.

231.04338

CAS

4068-76-2

Similarity

N/A

ID: 21824

methyl 3-hydroxybenzoate

$$$$ Data More

M. F.

C8H8O3

Suppliers	Catalog Number
Sigma Aldrich	252794 54740
MP Biomedicals	05202499
Alfa Aesar	A14425

Database	Data ID
PubChem	88068

M. W.

152.14732

CAS

19438-10-9

Similarity

N/A

ID: 21825

2-(azepane-1-carbonyl)benzoic acid

$$$$ Data

M. F.

C14H17NO3

Suppliers	Catalog Number
Matrix Scientific	024174

Database	Data ID
PubChem	15942939

M. W.

247.28968

CAS

Similarity

N/A

ID: 21826

N-(2-hydroxyphenyl)propanamide

$$$$ Data

M. F.

C9H11NO2

Suppliers	Catalog Number
Matrix Scientific	024175

Database	Data ID
PubChem	243658

M. W.

165.18914

CAS

Similarity

N/A

ID: 21827

N-(3-hydroxyphenyl)propanamide

$$$$ Data

M. F.

C9H11NO2

Suppliers	Catalog Number
Matrix Scientific	024176

Database	Data ID
PubChem	210708

M. W.

165.18914

CAS

Similarity

N/A

ID: 21828

ethyl 3-bromo-4-hydroxybenzoate

$$$$ Data

M. F.

C9H9BrO3

Suppliers	Catalog Number
Matrix Scientific	024177
A&J Pharmtech	AJA-O5216

Database	Data ID
PubChem	4778964

M. W.

245.06996

CAS

37470-58-9

Similarity

N/A

ID: 21829

methyl 3-bromo-4-hydroxybenzoate

$$$$ Data More

M. F.

C8H7BrO3

Suppliers	Catalog Number
Alfa Aesar	H30222
Matrix Scientific	024178
Enamine	EN300-28636

Database	Data ID
PubChem	4778958

M. W.

231.04338

CAS

29415-97-2

Similarity

N/A

ID: 21830

2-bromo-4,6-dichlorophenol

$$$$ Data

M. F.

C6H3BrCl2O

Suppliers	Catalog Number
Matrix Scientific	024179

Database	Data ID
PubChem	20617

M. W.

241.89742

CAS

Similarity

N/A

ID: 21831

1-(furan-2-carbonyl)piperazine hydrochloride

$$$$ Data

M. F.

C9H13ClN2O2

Suppliers	Catalog Number
Matrix Scientific	024180
Enamine	EN300-36985
Bide Pharmatech	BD6904

Database	Data ID
PubChem	12289910

M. W.

216.66472

CAS

40172-95-0

Similarity

N/A

ID: 21832

2-(2,3-dimethylphenoxy)acetic acid

$$$$ Data

M. F.

C10H12O3

Suppliers	Catalog Number
Alfa Aesar	A15976
Matrix Scientific	024181
Apollo Scientific	OR2059

Database	Data ID
PubChem	76239

M. W.

180.20048

CAS

2935-63-9

Similarity

N/A

ID: 21833

2-[4-(2-methylbutan-2-yl)phenoxy]acetic acid

$$$$ Data

M. F.

C13H18O3

Suppliers	Catalog Number
Matrix Scientific	024182

Database	Data ID
PubChem	16641253

M. W.

222.28022

CAS

Similarity

N/A

ID: 21834

2-(2-bromo-4,6-dichlorophenoxy)acetic acid

$$$$ Data

M. F.

C8H5BrCl2O3

Suppliers	Catalog Number
Matrix Scientific	024183

Database	Data ID
PubChem	13571745

M. W.

299.9335

CAS

Similarity

N/A

ID: 21835

5-bromo-2-methoxybenzoic acid

$$$$ Data More

M. F.

C8H7BrO3

Suppliers	Catalog Number
Sigma Aldrich	694789
Matrix Scientific	024184
Chemik	CHB38256

Database	Data ID
PubChem	881739

M. W.

231.04338

CAS

2476-35-9

Similarity

N/A

ID: 21836

4-oxo-4-(piperidin-1-yl)butanoic acid

$$$$ Data

M. F.

C9H15NO3

Suppliers	Catalog Number
Matrix Scientific	024185

Database	Data ID
PubChem	792860

M. W.

185.2203

CAS

4672-17-7

Similarity

N/A

ID: 21837

N-(4-hydroxyphenyl)propanamide

$$$$ Data

M. F.

C9H11NO2

Suppliers	Catalog Number
Matrix Scientific	024186
TRC	P783500
Enamine	EN300-104019

Database	Data ID
PubChem	74325

M. W.

165.18914

CAS

1693-37-4

Similarity

N/A

ID: 21838

3-phenyl-2-(1H-pyrrol-1-yl)propanoic acid

$$$$ Data

M. F.

C13H13NO2

Suppliers	Catalog Number
Matrix Scientific	024187

Database	Data ID
PubChem	3245144

M. W.

215.24782

CAS

Similarity

N/A

ID: 21839

3-methyl-2-(1H-pyrrol-1-yl)butanoic acid

$$$$ Data

M. F.

C9H13NO2

Suppliers	Catalog Number
Matrix Scientific	024188
Life Chemicals	F3310-0229

Database	Data ID
PubChem	14555443

M. W.

167.20502

CAS

Similarity

N/A

ID: 21840

2-(1H-1,3-benzodiazol-1-yl)acetohydrazide

$$$$ Data

M. F.

C9H10N4O

Suppliers	Catalog Number
Matrix Scientific	024189
Enamine	EN300-03833

Database	Data ID
PubChem	1540408

M. W.

190.2019

CAS

Similarity

N/A

ID: 21841

2-amino-N-(3-hydroxypropyl)benzamide

$$$$ Data

M. F.

C10H14N2O2

Suppliers	Catalog Number
Matrix Scientific	024190

Database	Data ID
PubChem	5067812

M. W.

194.23036

CAS

Similarity

N/A

ID: 21842

4-[(E)-2-phenylethenyl]aniline

$$$$ Data

M. F.

C14H13N

Suppliers	Catalog Number
Matrix Scientific	024191

Database	Data ID
PubChem	1272788

M. W.

195.25972

CAS

Similarity

N/A

ID: 21843

[2-(pyrrolidin-1-ylmethyl)phenyl]methanol

$$$$ Data

M. F.

C12H17NO

Suppliers	Catalog Number
ChemBridge	4001120
Matrix Scientific	024192

Database	Data ID
PubChem	300502

M. W.

191.26948

CAS

91271-58-8

Similarity

N/A

ID: 21844

4-amino-N-ethyl-N-(naphthalen-1-yl)benzamide

$$$$ Data

M. F.

C19H18N2O

Suppliers	Catalog Number
Matrix Scientific	024193

Database	Data ID
PubChem	80703

M. W.

290.35902

CAS

Similarity

N/A

ID: 21845

4-[9-(4-aminophenyl)-9H-fluoren-9-yl]aniline

$$$$ Data

M. F.

C25H20N2

Suppliers	Catalog Number
Sigma Aldrich	437913
Matrix Scientific	024194
A&J Pharmtech	AJA-O6719

Database	Data ID
PubChem	631552

M. W.

348.4397

CAS

15499-84-0

Similarity

N/A

ID: 21846

butan-2-yl 2-(3-oxopiperazin-2-yl)acetate

$$$$ Data

M. F.

C10H18N2O3

Suppliers	Catalog Number
Matrix Scientific	024195

Database	Data ID
PubChem	16641255

M. W.

214.26152

CAS

Similarity

N/A

ID: 21847

4-(2-ethoxyethoxy)benzoic acid

$$$$ Data

M. F.

C11H14O4

Suppliers	Catalog Number
ChemBridge	4024084
Matrix Scientific	024196

Database	Data ID
PubChem	13134736

M. W.

210.22646

CAS

40782-64-7

Similarity

N/A

ID: 21848

decyl 2-(3-oxopiperazin-2-yl)acetate

$$$$ Data

M. F.

C16H30N2O3

Suppliers	Catalog Number
Matrix Scientific	024197

Database	Data ID
PubChem	16641256

M. W.

298.421

CAS

Similarity

N/A

ID: 21849

dodecyl 2-(3-oxopiperazin-2-yl)acetate

$$$$ Data

M. F.

C18H34N2O3

Suppliers	Catalog Number
Matrix Scientific	024198

Database	Data ID
PubChem	16641257

M. W.

326.47416

CAS

Similarity

N/A

ID: 21850

1-(cyclopropylmethyl)piperazine

$$$$ Data More

M. F.

C8H16N2

Suppliers	Catalog Number
Sigma Aldrich	658839
ChemBridge	4009997
Matrix Scientific	024199

Database	Data ID
PubChem	965875

M. W.

140.22604

CAS

4572-03-6

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