[(3,4-dichlorophenyl)methyl](methyl)amine

• ChemBase ID: 66354
• Molecular Formular: C8H9Cl2N
• Molecular Mass: 190.06976
• Monoisotopic Mass: 189.01120465
• SMILES: N(C)Cc1cc(c(cc1)Cl)Cl
• Canonical SMILES: CNCc1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C8H9Cl2N/c1-11-5-6-2-3-7(9)8(10)4-6/h2-4,11H,5H2,1H3
• InChIKey: XOEHPEYVNJXYEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3,4-dichlorophenyl)methyl](methyl)amine
• IUPAC Traditional name: [(3,4-dichlorophenyl)methyl](methyl)amine
• Synonyms: N-(3,4-dichlorobenzyl)-N-methylamine; (3,4-Dichlorobenzyl)methylamine

Database IDs

• CAS Number: 5635-67-6
• MDL Number: MFCD00013624
• PubChem SID: 162032092
• PubChem CID: 485436

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.41240767
• LogD (pH = 7.4): 0.77842414
• Log P: 2.739684
• Molar Refractivity: 48.9156 cm^3
• Polarizability: 19.299627 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.816

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 97%