N-cyclohexylaniline hydrochloride

• ChemBase ID: 73954
• Molecular Formular: C12H18ClN
• Molecular Mass: 211.73102
• Monoisotopic Mass: 211.11277726
• SMILES: N(c1ccccc1)C1CCCCC1.Cl
• Canonical SMILES: C1CCC(CC1)Nc1ccccc1.Cl
• InChI: InChI=1S/C12H17N.ClH/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;1H
• InChIKey: DVGLBMLXBJFWSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexylaniline hydrochloride
• IUPAC Traditional name: benzenamine, N-cyclohexyl- hydrochloride
• Synonyms: N1-Phenylcyclohexan-1-amine hydrochloride; N-Cyclohexylaniline hydrochloride, tech

Database IDs

• MDL Number: MFCD00546209
• PubChem SID: 162038873
• PubChem CID: 2738136

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.104313
• LogD (pH = 7.4): 3.2432005
• Log P: 3.2452946
• Molar Refractivity: 57.266 cm^3
• Polarizability: 21.83485 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant