(3,4-dichlorophenyl)(phenyl)methanamine hydrochloride

• ChemBase ID: 261118
• Molecular Formular: C13H12Cl3N
• Molecular Mass: 288.60008
• Monoisotopic Mass: 287.00353243
• SMILES: c1(cc(c(cc1)Cl)Cl)C(c1ccccc1)N.Cl
• Canonical SMILES: NC(c1ccc(c(c1)Cl)Cl)c1ccccc1.Cl
• InChI: InChI=1S/C13H11Cl2N.ClH/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9;/h1-8,13H,16H2;1H
• InChIKey: JJLZGUSMBKWROL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3,4-dichlorophenyl)(phenyl)methanamine hydrochloride
• IUPAC Traditional name: (3,4-dichlorophenyl)(phenyl)methanamine hydrochloride
• Synonyms: (3,4-dichlorophenyl)(phenyl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD08544213
• PubChem SID: 164317028
• PubChem CID: 45791711

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.2134302
• LogD (pH = 7.4): 2.5908227
• Log P: 4.091344
• Molar Refractivity: 68.4238 cm^3
• Polarizability: 27.037235 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 298 - 300°C
• Hydrophobicity(logP): 3.748

Product Information

• Purity: 95%