1-phenylcyclohexan-1-amine hydrochloride

• ChemBase ID: 294065
• Molecular Formular: C12H18ClN
• Molecular Mass: 211.73102
• Monoisotopic Mass: 211.11277726
• SMILES: NC1(c2ccccc2)CCCCC1.Cl
• Canonical SMILES: NC1(CCCCC1)c1ccccc1.Cl
• InChI: InChI=1S/C12H17N.ClH/c13-12(9-5-2-6-10-12)11-7-3-1-4-8-11;/h1,3-4,7-8H,2,5-6,9-10,13H2;1H
• InChIKey: AFQRMCRVQVUGMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenylcyclohexan-1-amine hydrochloride
• IUPAC Traditional name: 1-phenylcyclohexylamine hydrochloride
• Synonyms: 1-Phenylcyclohexylamine hydrochloride

Database IDs

• CAS Number: 1934-71-0
• MDL Number: MFCD01735256
• PubChem SID: 180679596
• PubChem CID: 200391

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.19801153
• LogD (pH = 7.4): 0.3227234
• Log P: 2.8220534
• Molar Refractivity: 55.4352 cm^3
• Polarizability: 22.237206 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%