(2-chlorophenyl)(4-chlorophenyl)methanamine hydrochloride

• ChemBase ID: 278176
• Molecular Formular: C13H12Cl3N
• Molecular Mass: 288.60008
• Monoisotopic Mass: 287.00353243
• SMILES: c1(C(c2ccc(cc2)Cl)N)c(Cl)cccc1.Cl
• Canonical SMILES: Clc1ccc(cc1)C(c1ccccc1Cl)N.Cl
• InChI: InChI=1S/C13H11Cl2N.ClH/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15;/h1-8,13H,16H2;1H
• InChIKey: DVIBUXXKGRGGNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chlorophenyl)(4-chlorophenyl)methanamine hydrochloride
• IUPAC Traditional name: (2-chlorophenyl)(4-chlorophenyl)methanamine hydrochloride
• Synonyms: (2-chlorophenyl)(4-chlorophenyl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD19982524
• PubChem SID: 164334086
• PubChem CID: 53534704

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.2744981
• LogD (pH = 7.4): 2.7569103
• Log P: 4.091344
• Molar Refractivity: 68.4238 cm^3
• Polarizability: 27.007082 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 265 - 267°C
• Hydrophobicity(logP): 3.868

Product Information

• Purity: 95%