4-(ethenyloxy)aniline

• ChemBase ID: 14115
• Molecular Formular: C8H9NO
• Molecular Mass: 135.16316
• Monoisotopic Mass: 135.06841391
• SMILES: c1(ccc(cc1)N)OC=C
• Canonical SMILES: C=COc1ccc(cc1)N
• InChI: InChI=1S/C8H9NO/c1-2-10-8-5-3-7(9)4-6-8/h2-6H,1,9H2
• InChIKey: QCTFMVJQPRXEII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(ethenyloxy)aniline
• IUPAC Traditional name: 4-(ethenyloxy)aniline
• Synonyms: 4-Vinyloxy-phenylamine

Database IDs

• CAS Number: 1005-63-6
• MDL Number: MFCD02065040
• PubChem SID: 160977422
• PubChem CID: 681955

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4107037
• LogD (pH = 7.4): 1.4902079
• Log P: 1.491323
• Molar Refractivity: 40.9138 cm^3
• Polarizability: 15.588583 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false