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

• ChemBase ID: 255639
• Molecular Formular: C10H13N
• Molecular Mass: 147.21692
• Monoisotopic Mass: 147.10479942
• SMILES: C(=C)CNCc1ccccc1
• Canonical SMILES: C=CCNCc1ccccc1
• InChI: InChI=1S/C10H13N/c1-2-8-11-9-10-6-4-3-5-7-10/h2-7,11H,1,8-9H2
• InChIKey: RHUCQDQRNUUMKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(prop-2-en-1-yl)amine
• IUPAC Traditional name: benzyl(prop-2-en-1-yl)amine
• Synonyms: N-benzyl-2-propen-1-amine; N-allyl-N-benzylamine

Database IDs

• CAS Number: 4383-22-6
• MDL Number: MFCD00463446
• PubChem SID: 164311549
• PubChem CID: 521150

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.8206572
• LogD (pH = 7.4): 0.56875104
• Log P: 2.2628446
• Molar Refractivity: 48.4687 cm^3
• Polarizability: 19.063831 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.284

Product Information

• Purity: 95%