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

• ChemBase ID: 312335
• Molecular Formular: C12H17N
• Molecular Mass: 175.27008
• Monoisotopic Mass: 175.13609955
• SMILES: C(=C\CNCCC)/c1ccccc1
• Canonical SMILES: CCCNC/C=C/c1ccccc1
• InChI: InChI=1S/C12H17N/c1-2-10-13-11-6-9-12-7-4-3-5-8-12/h3-9,13H,2,10-11H2,1H3/b9-6+
• InChIKey: XVODXZBINOXIOP-RMKNXTFCSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 869941-93-5
• MDL Number: MFCD07405067

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.16980906
• LogD (pH = 7.4): 0.81697214
• Log P: 3.0208406
• Molar Refractivity: 58.8972 cm^3
• Polarizability: 22.838486 Å^3
• Polar Surface Area: 12.03 Å^2