[bis(4-chlorophenyl)methyl](methyl)amine

• ChemBase ID: 234855
• Molecular Formular: C14H13Cl2N
• Molecular Mass: 266.16572
• Monoisotopic Mass: 265.04250478
• SMILES: C(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)NC
• Canonical SMILES: CNC(c1ccc(cc1)Cl)c1ccc(cc1)Cl
• InChI: InChI=1S/C14H13Cl2N/c1-17-14(10-2-6-12(15)7-3-10)11-4-8-13(16)9-5-11/h2-9,14,17H,1H3
• InChIKey: PJXQWGJZSHIKTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [bis(4-chlorophenyl)methyl](methyl)amine
• IUPAC Traditional name: [bis(4-chlorophenyl)methyl](methyl)amine
• Synonyms: [bis(4-chlorophenyl)methyl](methyl)amine

Database IDs

• MDL Number: MFCD12415674
• PubChem SID: 164290765
• PubChem CID: 22660951

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.5485591
• LogD (pH = 7.4): 3.1006
• Log P: 4.5239244
• Molar Refractivity: 73.1984 cm^3
• Polarizability: 28.843931 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 49 - 51°C
• Hydrophobicity(logP): 4.284

Product Information

• Purity: 95%