bis(4-chlorophenyl)methanamine hydrochloride

• ChemBase ID: 260498
• Molecular Formular: C13H12Cl3N
• Molecular Mass: 288.60008
• Monoisotopic Mass: 287.00353243
• SMILES: C(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)N.Cl
• Canonical SMILES: NC(c1ccc(cc1)Cl)c1ccc(cc1)Cl.Cl
• InChI: InChI=1S/C13H11Cl2N.ClH/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10;/h1-8,13H,16H2;1H
• InChIKey: MVPCQZCATBVBOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12197224
• PubChem SID: 164316408
• PubChem CID: 21896605

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.2025981
• LogD (pH = 7.4): 2.5558574
• Log P: 4.091344
• Molar Refractivity: 68.4238 cm^3
• Polarizability: 27.001564 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 282 - 284°C
• Hydrophobicity(logP): 3.868

Product Information

• Purity: 95%