N-(prop-2-en-1-yl)pyridin-4-amine

• ChemBase ID: 24843
• Molecular Formular: C8H10N2
• Molecular Mass: 134.1784
• Monoisotopic Mass: 134.08439833
• SMILES: n1ccc(NCC=C)cc1
• Canonical SMILES: C=CCNc1ccncc1
• InChI: InChI=1S/C8H10N2/c1-2-5-10-8-3-6-9-7-4-8/h2-4,6-7H,1,5H2,(H,9,10)
• InChIKey: CCLRSSSZOXOMEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(prop-2-en-1-yl)pyridin-4-amine
• IUPAC Traditional name: N-(prop-2-en-1-yl)pyridin-4-amine
• Synonyms: N-Allylpyridin-4-amine

Database IDs

• MDL Number: MFCD09971814
• PubChem SID: 160988150
• PubChem CID: 28307298

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.023832392
• LogD (pH = 7.4): 0.09814398
• Log P: 0.95960134
• Molar Refractivity: 43.2576 cm^3
• Polarizability: 15.861076 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false