benzyl[2-(ethenyloxy)ethyl]amine

• ChemBase ID: 12686
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: c1cccc(c1)CNCCOC=C
• Canonical SMILES: C=COCCNCc1ccccc1
• InChI: InChI=1S/C11H15NO/c1-2-13-9-8-12-10-11-6-4-3-5-7-11/h2-7,12H,1,8-10H2
• InChIKey: AZIHNRDAZYKXRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl[2-(ethenyloxy)ethyl]amine
• IUPAC Traditional name: benzyl[2-(ethenyloxy)ethyl]amine
• Synonyms: Benzyl-(2-vinyloxy-ethyl)-amine

Database IDs

• CAS Number: 73731-97-2
• MDL Number: MFCD02824383
• PubChem SID: 160975993
• PubChem CID: 3127286

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1014644
• LogD (pH = 7.4): 0.27215484
• Log P: 1.9892936
• Molar Refractivity: 54.0417 cm^3
• Polarizability: 21.542942 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false