2-{[(2E)-3-phenylprop-2-en-1-yl]amino}ethan-1-ol

• ChemBase ID: 312275
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: C(=C\CNCCO)/c1ccccc1
• Canonical SMILES: OCCNC/C=C/c1ccccc1
• InChI: InChI=1S/C11H15NO/c13-10-9-12-8-4-7-11-5-2-1-3-6-11/h1-7,12-13H,8-10H2/b7-4+
• InChIKey: SKTUNMLBMMTJHS-QPJJXVBHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[(2E)-3-phenylprop-2-en-1-yl]amino}ethan-1-ol
• IUPAC Traditional name: 2-{[(2E)-3-phenylprop-2-en-1-yl]amino}ethanol
• Synonyms: 2-[(3-phenyl-2-propen-1-yl)amino]ethanol

Database IDs

• CAS Number: 99858-64-7
• MDL Number: MFCD04544536

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.557762
• LogD (pH = 7.4): -0.045456227
• Log P: 1.4514083
• Molar Refractivity: 55.9169 cm^3
• Polarizability: 21.546228 Å^3
• Polar Surface Area: 32.26 Å^2