benzyl(2-methylprop-2-en-1-yl)amine

• ChemBase ID: 311992
• Molecular Formular: C11H15N
• Molecular Mass: 161.2435
• Monoisotopic Mass: 161.12044949
• SMILES: C(=C)(CNCc1ccccc1)C
• Canonical SMILES: CC(=C)CNCc1ccccc1
• InChI: InChI=1S/C11H15N/c1-10(2)8-12-9-11-6-4-3-5-7-11/h3-7,12H,1,8-9H2,2H3
• InChIKey: NDKYBYPWDCWAOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(2-methylprop-2-en-1-yl)amine
• IUPAC Traditional name: benzyl(2-methylprop-2-en-1-yl)amine
• Synonyms: N-benzyl-2-methyl-2-propen-1-amine

Database IDs

• CAS Number: 52853-55-1
• MDL Number: MFCD08691774

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.61562246
• LogD (pH = 7.4): 0.678636
• Log P: 2.5062058
• Molar Refractivity: 52.7507 cm^3
• Polarizability: 20.910448 Å^3
• Polar Surface Area: 12.03 Å^2