[4-(3-chlorophenyl)phenyl]methanamine hydrochloride

• ChemBase ID: 798806
• Molecular Formular: C13H13Cl2N
• Molecular Mass: 254.15502
• Monoisotopic Mass: 253.04250478
• SMILES: Cl.C(N)c1ccc(cc1)c1cc(ccc1)Cl
• Canonical SMILES: NCc1ccc(cc1)c1cccc(c1)Cl.Cl
• InChI: InChI=1S/C13H12ClN.ClH/c14-13-3-1-2-12(8-13)11-6-4-10(9-15)5-7-11;/h1-8H,9,15H2;1H
• InChIKey: SLUZNNFPTBTUHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(3-chlorophenyl)phenyl]methanamine hydrochloride
• IUPAC Traditional name: [4-(3-chlorophenyl)phenyl]methanamine hydrochloride
• Synonyms: (3'-chlorobiphenyl-4-yl)methanamine hydrochloride

Database IDs

• CAS Number: 1211594-36-3

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.36383653
• LogD (pH = 7.4): 1.3144499
• Log P: 3.3502843
• Molar Refractivity: 64.4724 cm^3
• Polarizability: 26.584633 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%