(3E)-4-phenylbut-3-en-1-amine

• ChemBase ID: 796226
• Molecular Formular: C10H13N
• Molecular Mass: 147.21692
• Monoisotopic Mass: 147.10479942
• SMILES: C(C/C=C/c1ccccc1)N
• Canonical SMILES: NCC/C=C/c1ccccc1
• InChI: InChI=1S/C10H13N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-4,6-8H,5,9,11H2/b8-4+
• InChIKey: CBYAPCMTYUIARL-XBXARRHUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3E)-4-phenylbut-3-en-1-amine
• IUPAC Traditional name: (3E)-4-phenylbut-3-en-1-amine
• Synonyms: (E)-4-phenylbut-3-en-1-amine

Database IDs

• CAS Number: 7515-38-0

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0257019
• LogD (pH = 7.4): -0.5861556
• Log P: 1.9975911
• Molar Refractivity: 49.605 cm^3
• Polarizability: 19.145588 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%