UCSF

ZINC12358775

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 7 Yes

Popular Name: Cyclohexylamine Cyclohexylamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 108-91-8 , 26227-54-3 , 37832-40-9 , 4998-76-9 , 62-53-3 , 7023-27-0 , [108-91-8] , [26227-54-3] , [4998-76-9] , [7346-79-4]

Other Names:

"Cyclohexylamine, 99%"

(Ammine)cyclohexylaminedichloroplatinum(II); (SP-4-3)-Amminedichloro(cyclohexanamine)platinum; ACDCP; JM 118; LS-184067; Platinum, amminedichloro(cyclohexanamine)-, (SP-4-3)-; cis-Ammine(cyclohexylamine)dichloroplatinum(II)

1-AMINO-CYCLOHEXANE; 1-Aminocyclohexane; 1-Cyclohexylamine; ANL; Aminocyclohexane; Aniline, hexahydro-; Benzenamine, hexahydro-; CHA; CYCLOHEXYLAMINE; Cyclohexanamine; Cyclohexyl amine; Cyclohexylamine [UN2357] [Corrosive]; Hexahydroaniline; Hexahydrobenz

1-AMINO-CYCLOHEXANE;1-Aminocyclohexane;1-Cyclohexylamine;Aminocyclohexane;Aminocylcohexane;Aminohexahydrobenzene;CHA;Cyclohexanamine;Cyclohexanamine, 9CI;Cyclohexyl amine;Cyclohexylamine [UN2357] [Corrosive];Cyclohexylamine.HCL;HAI;Hexahydro-Aniline;Hexah

1-Aminocyclohexane

1-Aminocyclohexane; 1-Cyclohexylamine; AI3-15323; Aminocyclohexane; Aniline, hexahydro-; BRN 0471175; Benzenamine, hexahydro-; CCRIS 3645; CHA; CYCLOHEXYLAMINE; Cyclohexanamine; Cyclohexylamine [UN2357] [Corrosive]; Cyclohexylamine.HCl; EINECS 203-629-0

108-91-8; C00571; Cyclohexanamine; Cyclohexylamine

108-91-8; CPD-303; Cyclohexanamine; cyclohexylamine

2,4-Thiazolidinedione, compd. with cyclohexylamine (1:1); Cyclohexylamine salt of 2,4-thiazolidinedione; LS-151305

3-Mercaptopropanethioic acid compd. with cyclohexanamine (1:1); Cyclohexyl beta-mercaptothiolpropionate; LS-120988; Propanethioic acid, 3-mercapto-, compd. with cyclohexanamine (1:1)

Acetic acid, compd. with cyclohexanamine (1:1); Cyclohexylamine acetate; Cyclohexylammonium acetate; EINECS 230-871-4; LS-11532

Aminocyclohexane

Aniline

Carbonic acid, compd. with cyclohexanamine; Carbonic acid, compd. with cyclohexylamine; Cyclohexylamine carbonate; Cyclohexylammonium carbonate; EINECS 243-612-5; KTsA; LS-51955; VPI 300

CHA-sulfate; CHS; Cyclohexamine sulfate; Cyclohexanamine, sulfate (1:1); Cyclohexylamine sulfate; Cyclohexylamine, sulfate (1:1); Cyclohexylammonium hydrogen sulphate; EINECS 243-360-6; LS-7294; cyclohexanaminium hydrogen sulfate

CHEBI:14054; CHEBI:23485; CHEBI:4017

Cyclohex-ylamine

cyclohexanamine

Cyclohexanamine hydrobromide

cyclohexanamine hydrochloride

Cyclohexanamine, sulfate; Cyclohexylamine sulfate; Cyclohexylamine, sulfate; LS-57672

Cyclohexylamine hydrobromide

Cyclohexylamine hydrobromide, 98%

Cyclohexylamine hydrochloride

Cyclohexylamine hydrochloride, 98+%

Cyclohexylamine, 98+%

Cyclohexylamine, 99%

Cyclohexylaminehydrobromide

cyclohexylammonium

Cyclohexylammonium acetate

Cyclohexylammonium formate; Formic acid, compd. with cyclohexanamine (1:1); LS-69683

Cyclohexylammonium Ion

CYCLOHEXYLAMMONIUM ION; cyclohexylamine

Cyclohexylammonium phosphate dibasic

MFCD00001486

MFCD00034986

MFCD00050540

MFCD00058054

MFCD00070071

MFCD03939322

Mono-methyl phosphate bis(cyclohexylammonium) salt

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.09 2.1 -39.7 3 1 1 28 100.185 0 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 17 Acros Organics
MP 17° Oakwood Chemical
Melting_Point 18? Alfa-Aesar
Melting_Point 18° Alfa-Aesar
MP 19 - -17 Enamine Building Blocks
MP 19...-17 Enamine Building Blocks
BP [°C] 133 - 134 Acros Organics
Boiling_Point 133-134? Alfa-Aesar
Boiling_Point 133-134° Alfa-Aesar
BP 134° Oakwood Chemical
BP 135 TCI
Melting_Point 197-201? Alfa-Aesar
Melting_Point 197-201° Alfa-Aesar
Melting_Point 206-209? Alfa-Aesar
Melting_Point 206-209° Alfa-Aesar
ALOGPS_SOLUBILITY 7.40e-02 g/l DrugBank-experimental
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 98% Fluorochem
Purity 99% Fluorochem
Hazard C: Corrosive Acros Organics
Patent Database Links EP0812824; EP0812845; EP1090907; EP1270558; EP1340752; EP1422218; EP1533300; EP1619190; EP1741697; EP1806121; EP1849770; EP1886998; GB2357971; US2003082830; US2004092557; US2005020659; US2005124604; US2005131066; US2005137246; US2005277674; US2006041006 ChEBI
H phrase H314: Causes severe skin burns and eye damage Acros Organics
H phrase H314: Causes severe skin burns and eye damage; H301: Toxic if swallowed; H361f: Suspected of damaging fertility; H311: Toxic in contact with skin; H226: Flammable liquid and vapor Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P308 + P313: IF exposed or concerned: Get medical advice/attention; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P305 + P351 + P338: IF IN EYES: Rinse cautiou Acros Organics
R phrase R10: Flammable. Acros Organics
R phrase R10: Flammable.; R21/22: Harmful in contact with skin and if swallowed.; R34: Causes burns. Acros Organics
S phrase S1/2: Keep locked up and out of the reach of children. Acros Organics
S phrase S1/2: Keep locked up and out of the reach of children.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). Acros Organics
UniProt Database Links TAAR3_HUMAN; TAAR3_MOUSE; TAAR3_RAT ChEBI

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Analogs ( Draw Identity 99% 90% 80% 70% )