chempirical

Cyclohexylamine

C6H13NCAS 108-91-899.18 g/mol

Open in Covalent MOL file
H2N
Primary amine

Properties

Molecular formula
C6H13N
Molar mass
99.18 g/mol
Exact mass
99.1048 Da
Density
0.8647 g/mL (at 25 °C)
Melting point
−17.7 °C
Boiling point
134.5 °C
pKa
10.63 (conjugate acid)
Flash point
28 °C (closed cup)
Water solubility
miscible
logP
1.28Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)Irritant (GHS07)Health Hazard (GHS08)

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P203, P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number
108-91-8
SMILES
NC1CCCCC1
InChIKey
PAFZNILMFXTMIY-UHFFFAOYSA-N
InChI
InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

11 names
  • Cyclohexanamine
  • Aminocyclohexane
  • Aminohexahydrobenzene
  • Hexahydroaniline
  • Benzenamine, hexahydro-
  • 1-Aminocyclohexane
  • 1-Cyclohexylamine
  • Monocyclohexylamine
  • HY
  • Biodur E 1
  • N-Cyclohexylamine

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 108-91-8. Each row opens the sheet with its composition and PDF.

Open in the SDS library

Work with Cyclohexylamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Cyclohexylamine hydrochloride4998-76-9Salt Cyclohexylammonium bromide26227-54-3Salt 2-(Phosphonooxy)acrylic acid compound with cyclohexylamine (1:3)35556-70-8Salt Cyclohexylammonium phosphoenolpyruvate10526-80-4Salt Phenolphthalein monophosphate bis(cyclohexylammonium) salt14815-59-9Salt 5-Bromo-6-chloro-3-indolyl-D-glucuronide cyclohexylammonium salt144110-43-0Salt Dansyl-dl-aspartic acid di(cyclohexylamm102783-64-2Salt L-Alanine, N-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-, compd. with cyclohexanamine (1:1)53332-27-7Salt L-Ornithine, N5-[imino[[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]amino]methyl]-N2-[(phenylmethoxy)carbonyl]-, compd. with cyclohexanamine (1:1)80745-09-1Salt Phosphoric acid, mono(4-nitrophenyl) ester, compd. with cyclohexanamine (1:2)52483-84-8Salt Beta-nadph tetra(cyclohexylammonium) salt100929-71-3Salt X-Gluc114162-64-0Salt

Similar compounds

Cyclododecanamine1502-03-0100 % similar Cycloheptylamine5452-35-7100 % similar Cyclooctylamine5452-37-9100 % similar Cyclopentylamine1003-03-892 % similar Cyclobutylamine2516-34-977 % similar Cyclobutylammonium chloride6291-01-663 % similar trans-1,4-Diaminocyclohexane2615-25-062 % similar 1,4-Diaminocyclohexane3114-70-362 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Methylpiperidine109-05-7 Azepane111-49-9 N-Ethyl-2-methylallylamine18328-90-0 (S)-(+)-2-Methylpiperidine3197-42-0 2,2-Dimethylpyrrolidine35018-15-6 3-Methylpiperidine626-56-2 4-Methylpiperidine626-58-4 N-Methylpiperidine626-67-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia