Chembase list of 866358 unique molecular structures

2-hydroxy-1,4-dihydroquinolin-4-one sodium

$$$$ Data

M. F.

C9H7NNaO2

Suppliers	Catalog Number
MP Biomedicals	05210035

Database	Data ID
PubChem	54728857

M. W.

184.14715

CAS

4510-76-3

Similarity

N/A

ID: 109152

1,6-bis(8-methylnonyl) hexanedioate

$$$$ Data

M. F.

C26H50O4

Suppliers	Catalog Number
Sigma Aldrich	460214 36841
MP Biomedicals	05210045

Database	Data ID
PubChem	33733

M. W.

426.6728

CAS

27178-16-1

Similarity

N/A

ID: 109153

N,N-bis(propan-2-yl)formamide

$$$$ Data

M. F.

C7H15NO

Suppliers	Catalog Number
Sigma Aldrich	226254 38401
MP Biomedicals	05210046
Alfa Aesar	L08857

Database	Data ID
PubChem	75912

M. W.

129.2001

CAS

2700-30-3

Similarity

N/A

ID: 109154

2,2-dimethylhexan-3-ol

$$$$ Data

M. F.

C8H18O

Suppliers	Catalog Number
MP Biomedicals	05210048
Alfa Aesar	B20244

Database	Data ID
PubChem	98265

M. W.

130.22792

CAS

4209-90-9

Similarity

N/A

ID: 109155

N,N-dimethyl-4-oxopentanamide

$$$$ Data

M. F.

C7H13NO2

Suppliers	Catalog Number
MP Biomedicals	05210051

Database	Data ID
PubChem	83488

M. W.

143.18362

CAS

Similarity

N/A

ID: 109156

2,3-dimethylhexan-3-ol

$$$$ Data

M. F.

C8H18O

Suppliers	Catalog Number
MP Biomedicals	05210062
Alfa Aesar	B24525

Database	Data ID
PubChem	107235

M. W.

130.22792

CAS

4166-46-5

Similarity

N/A

ID: 109157

4,7-dimethyloctan-4-ol

$$$$ Data

M. F.

C10H22O

Suppliers	Catalog Number
MP Biomedicals	05210063
Alfa Aesar	B20225

Database	Data ID
PubChem	89224

M. W.

158.28108

CAS

19781-13-6

Similarity

N/A

ID: 109158

2,5-dimethylhex-2-ene

$$$$ Data

M. F.

C8H16

Suppliers	Catalog Number
MP Biomedicals	05210064

Database	Data ID
PubChem	18853

M. W.

112.21264

CAS

Similarity

N/A

ID: 109159

1,2-dimethyl-4-nitrobenzene

$$$$ Data More

M. F.

C8H9NO2

Suppliers	Catalog Number
Sigma Aldrich	N28604
MP Biomedicals	05210069
Alfa Aesar	L05342

Database	Data ID
PubChem	7440

M. W.

151.16256

CAS

99-51-4

Similarity

N/A

ID: 109160

2-{6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl}ethan-1-ol

$$$$ Data

M. F.

C11H18O

Suppliers	Catalog Number
MP Biomedicals	05210072

Database	Data ID
PubChem	31408

M. W.

166.26002

CAS

128-50-7

Similarity

N/A

ID: 109161

germanium(4+) ion tetramethanolate

$$$$ Data

M. F.

C4H16GeO4

Suppliers	Catalog Number
MP Biomedicals	05210075

Database	Data ID
PubChem	21932749

M. W.

200.80744

CAS

Similarity

N/A

ID: 109162

tetraammonium hexacyanoironbis(ylium)

$$$$ Data

M. F.

C6H16FeN10++++++

Suppliers	Catalog Number
MP Biomedicals	05210081

Database	Data ID
PubChem	17756740

M. W.

284.10324

CAS

14481-29-9

Similarity

N/A

ID: 109163

diammonium hexafluoro-$l^{5}-phosphanuide fluoride

$$$$ Data

M. F.

F7H8N2P

Suppliers	Catalog Number
MP Biomedicals	05210083

Database	Data ID
PubChem	25021249

M. W.

200.0395034

CAS

Similarity

N/A

ID: 109164

diammonium tellurate

$$$$ Data

M. F.

H8N2O4Te

Suppliers	Catalog Number
MP Biomedicals	05210084
Alfa Aesar	14487

Database	Data ID
PubChem	61608

M. W.

227.67452

CAS

13453-06-0

Similarity

N/A

ID: 109165

ammonium iodate

$$$$ Data

M. F.

H4INO3

Suppliers	Catalog Number
MP Biomedicals	05210085
Alfa Aesar	14531

Database	Data ID
PubChem	166805

M. W.

192.94113

CAS

13446-09-8

Similarity

N/A

ID: 109166

ammonium dodecanoate

$$$$ Data

M. F.

C12H27NO2

Suppliers	Catalog Number
MP Biomedicals	05210086

Database	Data ID
PubChem	159661

M. W.

217.34828

CAS

2437-23-2

Similarity

N/A

ID: 109167

ammonium dodecyl sulfate

$$$$ Data

M. F.

C12H29NO4S

Suppliers	Catalog Number
MP Biomedicals	05210087
Bide Pharmatech	BD114142

Database	Data ID
Wikipedia	Ammonium_lauryl_sulfate
PubChem	16700

M. W.

283.42796

CAS

2235-54-3

Similarity

N/A

ID: 109168

octadec-9-enoic acid amine

$$$$ Data

M. F.

C18H37NO2

Suppliers	Catalog Number
MP Biomedicals	05210088

Database	Data ID
PubChem	14299671

M. W.

299.49188

CAS

544-60-5

Similarity

N/A

ID: 109169

palladium(2+) ion ammonium trichloride

$$$$ Data

M. F.

Cl3NPd

Suppliers	Catalog Number
MP Biomedicals	05210089

Database	Data ID
PubChem	23197163

M. W.

226.7857

CAS

Similarity

N/A

ID: 109170

butanediamide

$$$$ Data More

M. F.

C4H8N2O2

Suppliers	Catalog Number
Sigma Aldrich	124753 14110
MP Biomedicals	05210090
Alfa Aesar	A12135

Database	Data ID
PubChem	8036

M. W.

116.11852

CAS

110-14-5

Similarity

N/A

ID: 109171

ammonium rheniumoylolate

$$$$ Data

M. F.

H4NO4Re

Suppliers	Catalog Number
MP Biomedicals	05210091
Alfa Aesar	10846 11410

Database	Data ID
Wikipedia	Ammonium_perrhenate
PubChem	3084163

M. W.

268.24306

CAS

13598-65-7

Similarity

N/A

ID: 109172

4-(2-amino-1-hydroxyethyl)benzene-1,2-diol hydrochloride

$$$$ Data

M. F.

C8H12ClNO3

Suppliers	Catalog Number
Sigma Aldrich	A7256 74490
MP Biomedicals	05210098
TRC	N674500

Database	Data ID
PubChem	5923

M. W.

205.63878

CAS

55-27-6

Similarity

N/A

ID: 109173

2-amino-3-nitro-9H-fluoren-9-one

$$$$ Data

M. F.

C13H8N2O3

Suppliers	Catalog Number
MP Biomedicals	05210106

Database	Data ID
PubChem	4345939

M. W.

240.21422

CAS

42135-32-0

Similarity

N/A

ID: 109174

barium(2+) ion dioxotungstenbis(olate)

$$$$ Data

M. F.

BaO4W

Suppliers	Catalog Number
Sigma Aldrich	343137
MP Biomedicals	05210109

Database	Data ID
PubChem	165643

M. W.

385.1646

CAS

7787-42-0

Similarity

N/A

ID: 109175

barium(2+) ion $l^{4}-sulfanuidoylolate

$$$$ Data

M. F.

BaHO3S

Suppliers	Catalog Number
MP Biomedicals	05210113

Database	Data ID
PubChem	6096951

M. W.

218.39814

CAS

7787-39-5

Similarity

N/A

ID: 109176

2,5-bis(4-phenylphenyl)-1,3-oxazole

$$$$ Data

M. F.

C27H19NO

Suppliers	Catalog Number
MP Biomedicals	05210115
Alfa Aesar	A13623

Database	Data ID
PubChem	95231

M. W.

373.44586

CAS

2083-09-2

Similarity

N/A

ID: 109177

2',7'-dichloro-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthene]-3-one

$$$$ Data

M. F.

C20H10Cl2O5

Suppliers	Catalog Number
Sigma Aldrich	35848 D6665 201480 (more...)
MP Biomedicals	05210122
Alfa Aesar	A16212

Database	Data ID
Wikipedia	Dichlorofluorescein
PubChem	64944

M. W.

401.1964

CAS

76-54-0

Similarity

N/A

ID: 109178

N-[2-(hydroxyimino)-1,2-diphenylethylidene]hydroxylamine

$$$$ Data

M. F.

C14H12N2O2

Suppliers	Catalog Number
Sigma Aldrich	289973
MP Biomedicals	05210127
Enamine	EN300-21541

Database	Data ID
PubChem	5369401

M. W.

240.25728

CAS

23873-81-6

Similarity

N/A

ID: 109179

2-[2-(2-oxo-1,2-diphenylethylidene)hydrazin-1-ylidene]-1,2-diphenylethan-1-one

$$$$ Data

M. F.

C28H20N2O2

Suppliers	Catalog Number
MP Biomedicals	05210128

Database	Data ID
PubChem	6382162

M. W.

416.4706

CAS

Similarity

N/A

ID: 109180

disodium 2',4',5',7'-tetrabromo-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'...

$$$$ Data

M. F.

C51H40Br4Cl2N6Na2O5S2

Suppliers	Catalog Number
MP Biomedicals	05210130

Database	Data ID
PubChem	16211426

M. W.

1317.53204

CAS

53092-85-6

Similarity

N/A

ID: 109181

2-hydroxy-2,2-diphenylacetic acid

$$$$ Data More

M. F.

C14H12O3

Suppliers	Catalog Number
Sigma Aldrich	B5194 12190
MP Biomedicals	05210131
Alfa Aesar	A12983

Database	Data ID
Wikipedia	Benzilic_acid
PubChem	6463

M. W.

228.24328

CAS

76-93-7

Similarity

N/A

ID: 109182

magnesium(2+) ion bis(4-({4-[benzyl(methyl)amino]phenyl}({4-[benzyl(methyl)imini...

$$$$ Data

M. F.

C70H62MgN4O14S4

Suppliers	Catalog Number
MP Biomedicals	05210133

Database	Data ID
PubChem	44135773

M. W.

1335.82468

CAS

Similarity

N/A

ID: 109183

1,2-dichloro-2-fluoropropane

$$$$ Data

M. F.

C3H5Cl2F

Suppliers	Catalog Number
MP Biomedicals	05210134

Database	Data ID
PubChem	101669

M. W.

130.9762032

CAS

420-99-5

Similarity

N/A

ID: 109184

4-chloro-N-(4-chlorobenzenesulfonyl)benzene-1-sulfonamide

$$$$ Data

M. F.

C12H9Cl2NO4S2

Suppliers	Catalog Number
MP Biomedicals	05210136

Database	Data ID
PubChem	249594

M. W.

366.24016

CAS

2725-55-5

Similarity

N/A

ID: 109185

[dichloro(phenyl)methyl]benzene

$$$$ Data

M. F.

C13H10Cl2

Suppliers	Catalog Number
Sigma Aldrich	D61407 35778
MP Biomedicals	05210137
TRC	D434260

Database	Data ID
Wikipedia	Diphenyldichloromethane
PubChem	16327

M. W.

237.1245

CAS

2051-90-3

Similarity

N/A

ID: 109186

1,2-dichloro-1,1,2,3,3,3-hexafluoropropane

$$$$ Data

M. F.

C3Cl2F6

Suppliers	Catalog Number
MP Biomedicals	05210139

Database	Data ID
PubChem	61193

M. W.

220.9285192

CAS

661-97-2

Similarity

N/A

ID: 109187

2,4-dichloro-3,5-dinitrobenzonitrile

$$$$ Data

M. F.

C7HCl2N3O4

Suppliers	Catalog Number
MP Biomedicals	05210140

Database	Data ID
PubChem	98751

M. W.

262.00654

CAS

1930-71-8

Similarity

N/A

ID: 109188

2-(decylsulfanyl)ethan-1-ol

$$$$ Data

M. F.

C12H26OS

Suppliers	Catalog Number
MP Biomedicals	05210142

Database	Data ID
PubChem	96654

M. W.

218.39924

CAS

41891-88-7

Similarity

N/A

ID: 109189

decyl octadec-9-enoate

$$$$ Data

M. F.

C28H54O2

Suppliers	Catalog Number
MP Biomedicals	05210144

Database	Data ID
PubChem	6537134

M. W.

422.72716

CAS

3687-46-5

Similarity

N/A

ID: 109190

(3aR,5S,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-tetrahydro-...

$$$$ Data More

M. F.

C12H20O6

Suppliers	Catalog Number
Sigma Aldrich	31460 D7600
MP Biomedicals	05210148
Alfa Aesar	A15568

Database	Data ID
PubChem	7067560

M. W.

260.2836

CAS

582-52-5

Similarity

N/A

ID: 109191

N,N'-dicyclohexylethanedithioamide

$$$$ Data

M. F.

C14H24N2S2

Suppliers	Catalog Number
Sigma Aldrich	D80207
MP Biomedicals	05210152

Database	Data ID
PubChem	2824676

M. W.

284.48376

CAS

122-36-1

Similarity

N/A

ID: 109192

2-(2-hydroxyethoxy)ethyl octadec-9-enoate

$$$$ Data

M. F.

C22H42O4

Suppliers	Catalog Number
MP Biomedicals	05210154

Database	Data ID
PubChem	6537228

M. W.

370.56648

CAS

106-12-7

Similarity

N/A

ID: 109193

1,1-dichloro-2,2-dimethylpropane

$$$$ Data

M. F.

C5H10Cl2

Suppliers	Catalog Number
MP Biomedicals	05210159

Database	Data ID
PubChem	23264313

M. W.

141.0389

CAS

Similarity

N/A

ID: 109194

cyclohexanamine hydrobromide

$$$$ Data

M. F.

C6H14BrN

Suppliers	Catalog Number
MP Biomedicals	05210165
Alfa Aesar	A18439
Bide Pharmatech	BD122789

Database	Data ID
PubChem	117303

M. W.

180.08606

CAS

26227-54-3

Similarity

N/A

ID: 109195

3-methylideneheptane

$$$$ Data

M. F.

C8H16

Suppliers	Catalog Number
MP Biomedicals	05210182

Database	Data ID
PubChem	15404

M. W.

112.21264

CAS

1632-16-2

Similarity

N/A

ID: 109196

1-(acetyloxy)ethyl acetate

$$$$ Data

M. F.

C6H10O4

Suppliers	Catalog Number
MP Biomedicals	05210185

Database	Data ID
PubChem	222536

M. W.

146.1412

CAS

542-10-9

Similarity

N/A

ID: 109197

isothiocyanatoethane

$$$$ Data More

M. F.

C3H5NS

Suppliers	Catalog Number
Sigma Aldrich	W442000 E33904 04240
MP Biomedicals	05210187
Alfa Aesar	A19492

Database	Data ID
PubChem	10966

M. W.

87.1435

CAS

542-85-8

Similarity

N/A

ID: 109198

2-ethyl-1$l^{5}-pyridin-1-one

$$$$ Data

M. F.

C7H9NO

Suppliers	Catalog Number
MP Biomedicals	05210188

Database	Data ID
PubChem	78546

M. W.

123.15246

CAS

4833-24-3

Similarity

N/A

ID: 109199

iron(3+) ion trioctadecanoate

$$$$ Data

M. F.

C54H105FeO6

Suppliers	Catalog Number
MP Biomedicals	05210189

Database	Data ID
PubChem	68388

M. W.

906.2529

CAS

555-36-2

Similarity

N/A

ID: 109200

7-ethyl-2-methylnonan-4-one

$$$$ Data

M. F.

C12H24O

Suppliers	Catalog Number
MP Biomedicals	05210191

Database	Data ID
PubChem	246923

M. W.

184.31836

CAS

6628-29-1

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