benzyl(methyl)amine hydrochloride

• ChemBase ID: 51092
• Molecular Formular: C8H12ClN
• Molecular Mass: 157.64058
• Monoisotopic Mass: 157.06582707
• SMILES: N(Cc1ccccc1)C.Cl
• Canonical SMILES: CNCc1ccccc1.Cl
• InChI: InChI=1S/C8H11N.ClH/c1-9-7-8-5-3-2-4-6-8;/h2-6,9H,7H2,1H3;1H
• InChIKey: CBSOFSBFHDQRLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(methyl)amine hydrochloride
• IUPAC Traditional name: N-methylbenzylamine hydrochloride
• Synonyms: N-Methyl-1-phenylmethanamine hydrochloride

Database IDs

• CAS Number: 61789-73-9
• MDL Number: MFCD01732455
• PubChem SID: 162055855
• PubChem CID: 9855548

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6647688
• LogD (pH = 7.4): -0.72088844
• Log P: 1.5315946
• Molar Refractivity: 39.306 cm^3
• Polarizability: 15.597312 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false