methyl(2-phenylethyl)amine hydrochloride

• ChemBase ID: 259607
• Molecular Formular: C9H14ClN
• Molecular Mass: 171.66716
• Monoisotopic Mass: 171.08147713
• SMILES: N(CCc1ccccc1)C.Cl
• Canonical SMILES: CNCCc1ccccc1.Cl
• InChI: InChI=1S/C9H13N.ClH/c1-10-8-7-9-5-3-2-4-6-9;/h2-6,10H,7-8H2,1H3;1H
• InChIKey: WIBADEXUNPVVIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(2-phenylethyl)amine hydrochloride
• IUPAC Traditional name: methylphenethylamine hydrochloride
• Synonyms: methyl(2-phenylethyl)amine hydrochloride

Database IDs

• CAS Number: 4104-43-2
• MDL Number: MFCD01708027
• PubChem SID: 164315517
• PubChem CID: 77742

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.4041611
• LogD (pH = 7.4): -0.790327
• Log P: 1.8202559
• Molar Refractivity: 44.061 cm^3
• Polarizability: 17.364784 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.579

Product Information

• Purity: 95%