Chembase list of 866358 unique molecular structures

4-amino-3,6-dichloropyridine-2-carboxylic acid

$$$$ Data

M. F.

C6H4Cl2N2O2

Suppliers	Catalog Number
Sigma Aldrich	32457
TRC	A628820

Database	Data ID
Wikipedia	Aminopyralid
PubChem	213012

M. W.

207.01416

CAS

150114-71-9

Similarity

N/A

ID: 125802

(3R,4S,5R)-5-amino-3,4-dihydroxycyclohex-1-ene-1-carboxylic acid

Data

M. F.

C7H11NO4

Suppliers

Catalog Number

Database	Data ID
Wikipedia	Aminoshikimic_acid
PubChem	443636

M. W.

173.16654

CAS

178948-66-8

Similarity

N/A

ID: 125803

N,N-dimethyl-3-{tricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4...

Data

M. F.

C20H23NO

Suppliers

Catalog Number

Database	Data ID
Wikipedia	Amitriptylinoxide
PubChem	20313

M. W.

293.40272

CAS

4317-14-0

Similarity

N/A

ID: 125804

1-[2-(3-methylbutoxy)-2-phenylethyl]pyrrolidine

Data

M. F.

C17H27NO

Suppliers

Catalog Number

Database	Data ID
Wikipedia	Amixetrine
PubChem	71911

M. W.

261.40238

CAS

24622-72-8

Similarity

N/A

ID: 125805

6-amino-1,2,3,4-tetrahydro-1,3,5-triazine-2,4-dione

$$$$ Data

M. F.

C3H4N4O2

Suppliers	Catalog Number
TRC	A633650

Database	Data ID
Wikipedia	Ammelide
PubChem	12584

M. W.

128.08946

CAS

645-93-2

Similarity

N/A

ID: 125806

4,6-diamino-2,5-dihydro-1,3,5-triazin-2-one

$$$$ Data

M. F.

C3H5N5O

Suppliers	Catalog Number
TRC	A633660

Database	Data ID
Wikipedia	Ammeline
PubChem	12583

M. W.

127.1047

CAS

645-92-1

Similarity

N/A

ID: 125807

boranimine

Data

M. F.

BH5N

Suppliers

Catalog Number

Database	Data ID
Wikipedia	Ammonia_borane
PubChem	57397083

M. W.

29.8574

CAS

13774-81-7

Similarity

N/A

ID: 125808

ammonia

$$$$ Data

M. F.

H3N

Suppliers	Catalog Number
Sigma Aldrich	718939 294993 779423 (more...)

Database	Data ID
Wikipedia	Ammonia
PubChem	222

M. W.

17.03052

CAS

7664-41-7

Similarity

N/A

ID: 125809

acetic acid amine

$$$$ Data

M. F.

C2H7NO2

Suppliers	Catalog Number
Sigma Aldrich	A1542 A2706 158526 (more...)

Database	Data ID
Wikipedia	Ammonium_acetate
PubChem	12432

M. W.

77.08248

CAS

631-61-8

Similarity

N/A

ID: 125810

diammonium hexanedioate

Data

M. F.

C6H16N2O4

Suppliers

Catalog Number

Database	Data ID
Wikipedia	Ammonium_adipate
PubChem	167786

M. W.

180.20224

CAS

3385-41-9

Similarity

N/A

ID: 125811

aluminium(3+) ion ammonium disulfate

$$$$ Data

M. F.

AlH7NO8S2

Suppliers	Catalog Number
Alfa Aesar	13802

Database	Data ID
Wikipedia	Ammonium_aluminium_sulfate
PubChem	3032540

M. W.

240.169018

CAS

7784-25-0

Similarity

N/A

ID: 125812

ammonium hydrogen carbonate

$$$$ Data

M. F.

CH5NO3

Suppliers	Catalog Number
Alfa Aesar	14249 A18566
Bide Pharmatech	BD114069

Database	Data ID
Wikipedia	Ammonium_bicarbonate
PubChem	14013

M. W.

79.0553

CAS

1066-33-7

Similarity

N/A

ID: 125813

ammonium difluorohydrogenuide

Data

M. F.

F2N+

Suppliers

Catalog Number

Database	Data ID
Wikipedia	Ammonium_bifluoride

M. W.

52.0035064

CAS

1341-49-7

Similarity

N/A

ID: 125814

ammonium hydrogen sulfate

$$$$ Data

M. F.

H5NO4S

Suppliers	Catalog Number
Alfa Aesar	14485

Database	Data ID
Wikipedia	Ammonium_bisulfate
PubChem	24655

M. W.

115.109

CAS

7803-63-6

Similarity

N/A

ID: 125815

ammonium bromide

$$$$ Data

M. F.

BrN

Suppliers	Catalog Number
Alfa Aesar	14257 A16258 12981

Database	Data ID
Wikipedia	Ammonium_bromide
PubChem	25514

M. W.

93.9107

CAS

12124-97-9

Similarity

N/A

ID: 125816

chloric acid amine

Data

M. F.

ClH4NO3

Suppliers

Catalog Number

Database	Data ID
Wikipedia	Ammonium_chlorate
PubChem	61491

M. W.

101.48966

CAS

10192-29-7

Similarity

N/A

ID: 125817

ammonium iminomethanide

Data

M. F.

CH4N2

Suppliers

Catalog Number

Database	Data ID
Wikipedia	Ammonium_cyanide
PubChem	159440

M. W.

44.05586

CAS

12211-52-8

Similarity

N/A

ID: 125818

diammonium [(oxidodioxochromio)oxy]chromiumoylolate

$$$$ Data

M. F.

Cr2H8N2O7

Suppliers	Catalog Number
Alfa Aesar	13444 43180

Database	Data ID
Wikipedia	Ammonium_dichromate
PubChem	24600

M. W.

252.06492

CAS

7789-09-5

Similarity

N/A

ID: 125819

ammonium dihydrogen phosphate

$$$$ Data

M. F.

H6NO4P

Suppliers	Catalog Number
Alfa Aesar	A15283 42663 10633 (more...)

Database	Data ID
Wikipedia	Ammonium_dihydrogen_phosphate
PubChem	24402

M. W.

115.025701

CAS

7722-76-1

Similarity

N/A

ID: 125820

ammonium dinitroazanide

Data

M. F.

H4N4O4

Suppliers

Catalog Number

Database	Data ID
Wikipedia	Ammonium_dinitramide
PubChem	10219428

M. W.

124.05616

CAS

140456-78-6

Similarity

N/A

ID: 125821

diammonium diuranium heptaoxidandiide

Data

M. F.

N2O7U2------------

Suppliers

Catalog Number

Database	Data ID
Wikipedia	Ammonium_diuranate
PubChem	197096

M. W.

616.06702

CAS

7783-22-4

Similarity

N/A

ID: 125822

iron(3+) ion ammonium 2-hydroxypropane-1,2,3-tricarboxylate

Data

M. F.

C6H9FeNO7+

Suppliers

Catalog Number

Database	Data ID
Wikipedia	Ammonium_ferric_citrate
PubChem	3080636

M. W.

262.98316

CAS

1185-57-5

Similarity

N/A

ID: 125823

diammonium hexafluorosilanediuide

$$$$ Data

M. F.

F6H8N2Si

Suppliers	Catalog Number
Sigma Aldrich	204331 372579
Alfa Aesar	69100 43184

Database	Data ID
Wikipedia	Ammonium_fluorosilicate
PubChem	28145

M. W.

178.1528392

CAS

16919-19-0

Similarity

N/A

ID: 125824

formic acid amine

$$$$ Data

M. F.

CH5NO2

Suppliers	Catalog Number
Sigma Aldrich	F2004 78314 516961 (more...)

Database	Data ID
Wikipedia	Ammonium_formate
PubChem	10904

M. W.

63.0559

CAS

540-69-2

Similarity

N/A

ID: 125825

but-2-enedioic acid diamine

Data

M. F.

C4H10N2O4

Suppliers

Catalog Number

Database	Data ID
Wikipedia	Ammonium_fumarate
PubChem	6440849

M. W.

150.1332

CAS

14548-85-7

Similarity

N/A

ID: 125826

diammonium hexachloroplatinumdiuide

$$$$ Data

M. F.

Cl6H8N2Pt

Suppliers	Catalog Number
Sigma Aldrich	204021 326100

Database	Data ID
Wikipedia	Ammonium_hexachloroplatinate
PubChem	16211460

M. W.

443.87292

CAS

16919-58-7

Similarity

N/A

ID: 125827

ammonium iodide

$$$$ Data

M. F.

Suppliers	Catalog Number
Alfa Aesar	40255 11668 A12498

Database	Data ID
Wikipedia	Ammonium_iodide
PubChem	25487

M. W.

140.91117

CAS

12027-06-4

Similarity

N/A

ID: 125828

λ²-iron(2+) ion diammonium disulfate

$$$$ Data

M. F.

FeH8N2O8S2

Suppliers	Catalog Number
Alfa Aesar	39391 88584

Database	Data ID
Wikipedia	Ammonium_iron(II)_sulfate
PubChem	24863

M. W.

284.04712

CAS

7783-85-9

Similarity

N/A

ID: 125829

iron(3+) ion ammonium disulfate

Data

M. F.

FeH4NO8S2

Suppliers

Catalog Number

Database	Data ID
Wikipedia	Ammonium_iron(III)_sulfate
PubChem	61485

M. W.

266.00866

CAS

10138-04-2

Similarity

N/A

ID: 125830

diammonium 2-hydroxybutanedioate

Data

M. F.

C4H12N2O5

Suppliers

Catalog Number

Database	Data ID
Wikipedia	Ammonium_malate
PubChem	13644148

M. W.

168.14848

CAS

6283-27-8

Similarity

N/A

ID: 125831

ammonium trioxovanadiumuide

Data

M. F.

H4NO3V

Suppliers

Catalog Number

Database	Data ID
Wikipedia	Ammonium_metavanadate

M. W.

116.97816

CAS

7803-55-6

Similarity

N/A

ID: 125832

ammonium nonanoate

Data

M. F.

C9H21NO2

Suppliers

Catalog Number

Database	Data ID
Wikipedia	Ammonium_nonanoate
PubChem	21902950

M. W.

175.26854

CAS

63718-65-0

Similarity

N/A

ID: 125833

diammonium oxalate

$$$$ Data

M. F.

C2H8N2O4

Suppliers	Catalog Number
Bide Pharmatech	BD114162

Database	Data ID
Wikipedia	Ammonium_oxalate
PubChem	14213

M. W.

124.09592

CAS

1113-38-8

Similarity

N/A

ID: 125834

decaammonium dodecakis(trioxotungsten) pentaoxidandiide

Data

M. F.

H40N10O41W12

Suppliers

Catalog Number

Database	Data ID
Wikipedia	Ammonium_paratungstate
PubChem	57506885

M. W.

3042.44

CAS

11120-25-5

Similarity

N/A

ID: 125835

ammonium perchlorate

$$$$ Data

M. F.

ClH4NO4

Suppliers	Catalog Number
Alfa Aesar	11658

Database	Data ID
Wikipedia	Ammonium_perchlorate
PubChem	24639

M. W.

117.48906

CAS

7790-98-9

Similarity

N/A

ID: 125836

ammonium manganesoylolate

Data

M. F.

H4MnNO4

Suppliers

Catalog Number

Database	Data ID
Wikipedia	Ammonium_permanganate
PubChem	61604

M. W.

136.974109

CAS

13446-10-1

Similarity

N/A

ID: 125837

triammonium phosphate

Data

M. F.

H12N3O4P

Suppliers

Catalog Number

Database	Data ID
Wikipedia	Ammonium_phosphate
PubChem	159282

M. W.

149.086741

CAS

10361-65-6

Similarity

N/A

ID: 125838

ammonium sulfamate

$$$$ Data

M. F.

H6N2O3S

Suppliers	Catalog Number
Alfa Aesar	A17696 14534
Bide Pharmatech	BD114176

Database	Data ID
Wikipedia	Ammonium_sulfamate
PubChem	24482

M. W.

114.12424

CAS

7773-06-0

Similarity

N/A

ID: 125839

diammonium sulfanediide

$$$$ Data

M. F.

N2S

Suppliers	Catalog Number
Alfa Aesar	33286 40509

Database	Data ID
Wikipedia	Ammonium_sulfide
PubChem	25519

M. W.

60.0784

CAS

12135-76-1

Similarity

N/A

ID: 125840

diammonium sulfite

$$$$ Data

M. F.

H8N2O3S

Suppliers	Catalog Number
Alfa Aesar	17996

Database	Data ID
Wikipedia	Ammonium_sulfite
PubChem	25041

M. W.

116.14012

CAS

17026-44-7

Similarity

N/A

ID: 125841

diammonium (sulfanidyldisulfanylidenemolybdenio)sulfanide

$$$$ Data

M. F.

H8MoN2S4

Suppliers	Catalog Number
Sigma Aldrich	323446
Alfa Aesar	43493

Database	Data ID
Wikipedia	Ammonium_tetrathiomolybdate
PubChem	15251598

M. W.

260.29692

CAS

15060-55-6

Similarity

N/A

ID: 125842

diammonium 1-oxo-1λ⁶-disulfene-1,1-bis(olate)

$$$$ Data

M. F.

H8N2O3S2

Suppliers	Catalog Number
Alfa Aesar	A10190

Database	Data ID
Wikipedia	Ammonium_thiosulfate
PubChem	6096946

M. W.

148.20512

CAS

7783-18-8

Similarity

N/A

ID: 125843

ammonium triiodan-2-uide

Data

M. F.

H4I3N

Suppliers

Catalog Number

Database	Data ID
Wikipedia	Ammonium_triiodide
PubChem	22991060

M. W.

398.75187

CAS

12298-32-7

Similarity

N/A

ID: 125844

(1R,4R,4aS,8aR)-4,7-dimethyl-1-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,8a-octahydronapht...

Data

M. F.

C15H24

Suppliers

Catalog Number

Database	Data ID
Wikipedia	Amorpha-4,11-diene
PubChem	11052747

M. W.

204.35106

CAS

92692-39-2

Similarity

N/A

ID: 125845

2-amino-3-(5-methyl-3-oxo-2,3-dihydro-1,2-oxazol-4-yl)propanoic acid

Data

M. F.

C7H10N2O4

Suppliers

Catalog Number

Database	Data ID
Wikipedia	AMPA
PubChem	1221

M. W.

186.1653

CAS

77521-29-0

Similarity

N/A

ID: 125846

(1S,8S,16S)-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.0²,^...

Data

M. F.

C28H22O6

Suppliers

Catalog Number

Database	Data ID
Wikipedia	Ampelopsin_B
PubChem	5318088

M. W.

454.47068

CAS

130518-19-3

Similarity

N/A

ID: 125847

(2S,3S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-...

Data

M. F.

C15H12O8

Suppliers

Catalog Number

Database	Data ID
Wikipedia	Ampelopsin
PubChem	12306070

M. W.

320.25098

CAS

27200-12-0

Similarity

N/A

ID: 125848

4-[4,4-bis(4-fluorophenyl)butyl]-N-ethylpiperazine-1-carboxamide

Data

M. F.

C23H29F2N3O

Suppliers

Catalog Number

Database	Data ID
Wikipedia	Amperozide
PubChem	73333

M. W.

401.4926664

CAS

75558-90-6

Similarity

N/A

ID: 125849

1-phenylpropan-2-amine

$$$$ Data

M. F.

C9H13N

Suppliers	Catalog Number
Sigma Aldrich	610240

Database	Data ID
Wikipedia	Amphetamine
PubChem	3007

M. W.

135.20622

CAS

300-62-9

Similarity

N/A

ID: 125850

1-[(4-amino-2-propylpyrimidin-5-yl)methyl]-2-methylpyridin-1-ium chloride

Data

M. F.

C14H19ClN4

Suppliers

Catalog Number

Database	Data ID
Wikipedia	Amprolium
PubChem	73341

M. W.

278.78046

CAS

137-88-2

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