methyl(1-phenylethyl)amine

• ChemBase ID: 60433
• Molecular Formular: C9H13N
• Molecular Mass: 135.20622
• Monoisotopic Mass: 135.10479942
• SMILES: c1(C(NC)C)ccccc1
• Canonical SMILES: CNC(c1ccccc1)C
• InChI: InChI=1S/C9H13N/c1-8(10-2)9-6-4-3-5-7-9/h3-8,10H,1-2H3
• InChIKey: RCSSHZGQHHEHPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 19131-99-8
• MDL Number: MFCD00463429
• PubChem SID: 162026174
• PubChem CID: 577403

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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%