methyl(1-phenylethyl)amine hydrochloride

• ChemBase ID: 254644
• Molecular Formular: C9H14ClN
• Molecular Mass: 171.66716
• Monoisotopic Mass: 171.08147713
• SMILES: c1(C(NC)C)ccccc1.Cl
• Canonical SMILES: CNC(c1ccccc1)C.Cl
• InChI: InChI=1S/C9H13N.ClH/c1-8(10-2)9-6-4-3-5-7-9;/h3-8,10H,1-2H3;1H
• InChIKey: CLMUXERMQYHMJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(1-phenylethyl)amine hydrochloride
• IUPAC Traditional name: methyl(1-phenylethyl)amine hydrochloride
• Synonyms: N-Methyl-1-phenylethanamine hydrochloride; methyl(1-phenylethyl)amine hydrochloride

Database IDs

• CAS Number: 10408-89-6
• MDL Number: MFCD09866174
• PubChem SID: 164310554
• PubChem CID: 24213016

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2559385
• LogD (pH = 7.4): -0.37916717
• Log P: 1.9481697
• Molar Refractivity: 43.7248 cm^3
• Polarizability: 17.443655 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.819

Product Information

• Purity: 95%; 95+%