Dicyclohexylamine
Properties
- Molecular formula
- C12H23N
- Molar mass
- 181.32 g/mol
- Exact mass
- 181.1830 Da
- Density
- 0.9104 g/mL (at 25 °C)
- Melting point
- −0.1 °C
- Boiling point
- 255.8 °C
- pKa
- 10.4
- Flash point
- 105 °C (open cup)
- Water solubility
- miscible
- logP
- 3.24Crippen estimate
- Polar surface area
- 12.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Hazards
Danger
- H302 Harmful if swallowedAcute toxicity, oral
- H314 Causes severe skin burns and eye damageSkin corrosion/irritation
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
- H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 612-066-00-3), via PubChem.
Precautionary statements
P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P391, P405, P501
Identifiers
CAS number
101-83-7SMILES
C1CCC(NC2CCCCC2)CC1InChIKey
XBPCUCUWBYBCDP-UHFFFAOYSA-NInChI
InChI=1S/C12H23N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- Cyclohexanamine, N-cyclohexyl-
- N-Cyclohexylcyclohexanamine
- Dodecahydrodiphenylamine
- N,N-Dicyclohexylamine
- Aminodicyclohexane
- Bis(cyclohexyl)amine
- NSC 3399
- D-CHA-T
Work with Dicyclohexylamine
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.
Dicyclohexylammonium nitrite3129-91-7Salt
L-Lysine, N6-[(1,1-dimethylethoxy)carbonyl]-N2-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)2212-76-2Salt
N-Benzyloxycarbonyl-L-leucine dicyclohexylamine salt53363-87-4Salt
Nα-tert-Butoxycarbonyl-Nε-benzyloxycarbonyl-L-lysine compound with dicyclohexylamine (1:1)16948-04-2Salt
N-Carbobenzoxy-L-aspartic acid β-tert-butyl ester dicyclohexylamine salt (1:1)23632-70-4Salt
Boc-His(Boc)-OH dicyclohexylamine (1:1)31687-58-8Salt
N-Benzyloxycarbonyl-L-isoleucine dicyclohexylamine salt26699-00-3Salt
D-Lysine, N2-[(1,1-dimethylethoxy)carbonyl]-N6-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)76477-42-4Salt
L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(1,1-dimethylethyl) ester, compd. with N-cyclohexylcyclohexanamine (1:1)1913-12-8Salt
Z-D-Leu-OH.DCHA7662-58-0Salt
Boc-N-me-phe DCHA40163-88-0Salt
L-Threonine, O-(1,1-dimethylethyl)-N-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)16966-07-7Salt
Similar compounds
Isopropylcyclohexylamine1195-42-261 % similar
Methylcyclohexylamine100-60-750 % similar
7-Azabicyclo[2,2,1]heptane hydrochloride27514-07-450 % similar
Cyclohexylethylamine5459-93-845 % similar
N-Cyclohexylbenzenamine1821-36-943 % similar
N,N',N''-Tricyclohexyl-1-methylsilanetriamine15901-40-343 % similar
Cyclohexylhydrazine hydrochloride24214-73-143 % similar
N-Cyclohexylhydroxylamine hydrochloride25100-12-343 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.