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

• ChemBase ID: 312441
• Molecular Formular: C12H15N
• Molecular Mass: 173.2542
• Monoisotopic Mass: 173.12044949
• SMILES: C(=C\CNCC=C)/c1ccccc1
• Canonical SMILES: C=CCNC/C=C/c1ccccc1
• InChI: InChI=1S/C12H15N/c1-2-10-13-11-6-9-12-7-4-3-5-8-12/h2-9,13H,1,10-11H2/b9-6+
• InChIKey: MPYILWXWVRMLOH-RMKNXTFCSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 86386-72-3
• MDL Number: MFCD07406259

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.110917695
• LogD (pH = 7.4): 1.4320422
• Log P: 2.87276
• Molar Refractivity: 58.7873 cm^3
• Polarizability: 22.612621 Å^3
• Polar Surface Area: 12.03 Å^2