N-[(2E)-3-phenylprop-2-en-1-yl]cyclopropanamine

• ChemBase ID: 312316
• Molecular Formular: C12H15N
• Molecular Mass: 173.2542
• Monoisotopic Mass: 173.12044949
• SMILES: C1(CC1)NC/C=C/c1ccccc1
• Canonical SMILES: C(NC1CC1)/C=C/c1ccccc1
• InChI: InChI=1S/C12H15N/c1-2-5-11(6-3-1)7-4-10-13-12-8-9-12/h1-7,12-13H,8-10H2/b7-4+
• InChIKey: ZEHNETYCAGKVGU-QPJJXVBHSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 18381-63-0
• MDL Number: MFCD07410335

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.5040607
• LogD (pH = 7.4): 0.8199456
• Log P: 2.6070747
• Molar Refractivity: 56.8358 cm^3
• Polarizability: 22.089895 Å^3
• Polar Surface Area: 12.03 Å^2