(4-ethenylphenyl)methanamine

• ChemBase ID: 180281
• Molecular Formular: C9H11N
• Molecular Mass: 133.19034
• Monoisotopic Mass: 133.08914936
• SMILES: C(=C)c1ccc(cc1)CN
• Canonical SMILES: NCc1ccc(cc1)C=C
• InChI: InChI=1S/C9H11N/c1-2-8-3-5-9(7-10)6-4-8/h2-6H,1,7,10H2
• InChIKey: WAVDSLLYAQBITE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-ethenylphenyl)methanamine
• IUPAC Traditional name: (4-ethenylphenyl)methanamine
• Synonyms: 4-Vinylbenzylamine

Database IDs

• CAS Number: 50325-49-0
• PubChem SID: 164236191
• PubChem CID: 11073466

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1530493
• LogD (pH = 7.4): -0.22085293
• Log P: 1.8357164
• Molar Refractivity: 44.2177 cm^3
• Polarizability: 17.294308 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true