butyl[(2E)-3-phenylprop-2-en-1-yl]amine

• ChemBase ID: 312456
• Molecular Formular: C13H19N
• Molecular Mass: 189.29666
• Monoisotopic Mass: 189.15174961
• SMILES: C(=C\CNCCCC)/c1ccccc1
• Canonical SMILES: CCCCNC/C=C/c1ccccc1
• InChI: InChI=1S/C13H19N/c1-2-3-11-14-12-7-10-13-8-5-4-6-9-13/h4-10,14H,2-3,11-12H2,1H3/b10-7+
• InChIKey: AZZYKBHEGUJORL-JXMROGBWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butyl[(2E)-3-phenylprop-2-en-1-yl]amine
• IUPAC Traditional name: butyl[(2E)-3-phenylprop-2-en-1-yl]amine
• Synonyms: N-butyl-3-phenyl-2-propen-1-amine

Database IDs

• CAS Number: 155687-67-5
• MDL Number: MFCD07410435

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.2756037
• LogD (pH = 7.4): 1.2683283
• Log P: 3.4654093
• Molar Refractivity: 63.4982 cm^3
• Polarizability: 24.68514 Å^3
• Polar Surface Area: 12.03 Å^2