2-ethenylaniline hydrochloride

• ChemBase ID: 292976
• Molecular Formular: C8H10ClN
• Molecular Mass: 155.6247
• Monoisotopic Mass: 155.05017701
• SMILES: Nc1ccccc1C=C.Cl
• Canonical SMILES: C=Cc1ccccc1N.Cl
• InChI: InChI=1S/C8H9N.ClH/c1-2-7-5-3-4-6-8(7)9;/h2-6H,1,9H2;1H
• InChIKey: HHIKQTVNXYEWQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethenylaniline hydrochloride
• IUPAC Traditional name: 2-ethenylaniline hydrochloride
• Synonyms: 2-Vinylaniline hydrochloride

Database IDs

• CAS Number: 120338-91-2
• PubChem SID: 180678507
• PubChem CID: 12372335

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.8545552
• LogD (pH = 7.4): 1.8806784
• Log P: 1.881022
• Molar Refractivity: 40.4447 cm^3
• Polarizability: 15.038867 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%