N-Cyclohexylbenzenamine

C₁₂H₁₇NCAS 1821-36-9175.27 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₁₂H₁₇N
Molar mass: 175.27 g/mol
Exact mass: 175.1361 Da
Density: 1.003 g/mL (at 12 °C)
Melting point: 16 °C
Boiling point: 279 °C
logP: 3.43Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled74.6% of notifiers
H302 Harmful if swallowed99.4% of notifiers
H312 Harmful in contact with skin96.6% of notifiers
H317 May cause an allergic skin reaction74.6% of notifiers
H332 Harmful if inhaled96.6% of notifiers

Aggregated from 177 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P333+P317, P362+P364, P501

Identifiers

CAS number

1821-36-9

SMILES

c1ccc(NC2CCCCC2)cc1

InChIKey

TXTHKGMZDDTZFD-UHFFFAOYSA-N

InChI

InChI=1S/C12H17N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2

Weigh it out

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

Names and synonyms

10 names

Benzenamine, N-cyclohexyl-
Cyclohexylamine, N-phenyl-
Cyclohexanamine, N-phenyl-
N-Phenylcyclohexylamine
N-Cyclohexylaniline
Cyclohexylphenylamine
Phenylcyclohexylamine
NSC 27510
N-Cyclohexyl-N-phenylamine
N-Cyclohexylphenylamine

Work with N-Cyclohexylbenzenamine

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

Similar compounds

1-Benzyl-4-(phenylamino)piperidine1155-56-255 % similar (2S)-N-Phenyl-2-pyrrolidinemethanamine64030-44-047 % similar (R)-(-)-2-(Anilinomethyl)pyrrolidine68295-45-447 % similar N-Isopropylaniline768-52-544 % similar Cyclohexylbenzene827-52-144 % similar Alpha-((Cyclohexylamino)methyl)benzenemethanol6589-48-644 % similar Dicyclohexylamine101-83-743 % similar Hydrazobenzene122-66-743 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Benzylpiperidine13603-25-3 Tricyclo(3.3.1.13,7)decane-1-acetonitrile16269-13-9 1-Methyl-3-phenylpiperidine19509-11-6 1-Benzylpiperidine2905-56-8 4-Benzylpiperidine31252-42-3 2-Benzylpiperidine32838-55-4 4-Cyclohexylbenzenamine6373-50-8

Elsewhere

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