cyclohexyl(phenyl)methanamine hydrochloride

• ChemBase ID: 257734
• Molecular Formular: C13H20ClN
• Molecular Mass: 225.7576
• Monoisotopic Mass: 225.12842733
• SMILES: C(c1ccccc1)(C1CCCCC1)N.Cl
• Canonical SMILES: NC(c1ccccc1)C1CCCCC1.Cl
• InChI: InChI=1S/C13H19N.ClH/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1,3-4,7-8,12-13H,2,5-6,9-10,14H2;1H
• InChIKey: INIQGHHKHOQSIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohexyl(phenyl)methanamine hydrochloride
• IUPAC Traditional name: cyclohexyl(phenyl)methanamine hydrochloride
• Synonyms: 1-cyclohexyl-1-phenylmethanamine hydrochloride

Database IDs

• MDL Number: MFCD11505530
• PubChem SID: 164313644
• PubChem CID: 12280949

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.26240003
• LogD (pH = 7.4): 0.95581734
• Log P: 3.2730646
• Molar Refractivity: 59.9466 cm^3
• Polarizability: 24.08471 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 347 - 349°C
• Hydrophobicity(logP): 3.524

Product Information

• Purity: 95%