2-ethenylpyridin-4-amine

• ChemBase ID: 292431
• Molecular Formular: C7H8N2
• Molecular Mass: 120.15182
• Monoisotopic Mass: 120.06874827
• SMILES: Nc1cc(C=C)ncc1
• Canonical SMILES: Nc1cc(C=C)ncc1
• InChI: InChI=1S/C7H8N2/c1-2-7-5-6(8)3-4-9-7/h2-5H,1H2,(H2,8,9)
• InChIKey: PIARMBBJTBYGDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethenylpyridin-4-amine
• IUPAC Traditional name: 2-ethenylpyridin-4-amine
• Synonyms: 2-Vinylpyridin-4-amine

Database IDs

• CAS Number: 102000-57-7
• PubChem SID: 180677962
• PubChem CID: 56845622

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.54725957
• LogD (pH = 7.4): -0.20911616
• Log P: 0.8970106
• Molar Refractivity: 37.8407 cm^3
• Polarizability: 14.093535 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%