[4-(1,3-dioxolan-2-yl)pyridin-2-yl]methanamine

• ChemBase ID: 801705
• Molecular Formular: C9H12N2O2
• Molecular Mass: 180.20378
• Monoisotopic Mass: 180.08987763
• SMILES: NCc1nccc(c1)C1OCCO1
• Canonical SMILES: NCc1nccc(c1)C1OCCO1
• InChI: InChI=1S/C9H12N2O2/c10-6-8-5-7(1-2-11-8)9-12-3-4-13-9/h1-2,5,9H,3-4,6,10H2
• InChIKey: SIRYECBEBRTMBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(1,3-dioxolan-2-yl)pyridin-2-yl]methanamine
• IUPAC Traditional name: [4-(1,3-dioxolan-2-yl)pyridin-2-yl]methanamine
• Synonyms: [4-(1,3-DIOXOLAN-2-YL)PYRIDIN-2-YL]METHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.748331
• LogD (pH = 7.4): -1.1452055
• Log P: -0.05403193
• Molar Refractivity: 47.2315 cm^3
• Polarizability: 18.971292 Å^3
• Polar Surface Area: 57.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%