(3-chlorophenyl)(phenyl)methanamine hydrochloride

• ChemBase ID: 259374
• Molecular Formular: C13H13Cl2N
• Molecular Mass: 254.15502
• Monoisotopic Mass: 253.04250478
• SMILES: c1(C(c2ccccc2)N)cc(Cl)ccc1.Cl
• Canonical SMILES: Clc1cccc(c1)C(c1ccccc1)N.Cl
• InChI: InChI=1S/C13H12ClN.ClH/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10;/h1-9,13H,15H2;1H
• InChIKey: UCOACANPNQMECK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-chlorophenyl)(phenyl)methanamine hydrochloride
• IUPAC Traditional name: (3-chlorophenyl)(phenyl)methanamine hydrochloride
• Synonyms: (3-chlorophenyl)(phenyl)methanamine hydrochloride

Database IDs

• CAS Number: 5267-37-8
• MDL Number: MFCD08544210
• PubChem SID: 164315284
• PubChem CID: 21528812

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.5986666
• LogD (pH = 7.4): 1.9521896
• Log P: 3.4872992
• Molar Refractivity: 63.619 cm^3
• Polarizability: 25.168163 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 286 - 288°C
• Hydrophobicity(logP): 3.155

Product Information

• Purity: 95%