{[5-(1,3-dioxolan-2-yl)pyridin-3-yl]methyl}(methyl)amine

• ChemBase ID: 801717
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: N(C)Cc1cncc(c1)C1OCCO1
• Canonical SMILES: CNCc1cncc(c1)C1OCCO1
• InChI: InChI=1S/C10H14N2O2/c1-11-5-8-4-9(7-12-6-8)10-13-2-3-14-10/h4,6-7,10-11H,2-3,5H2,1H3
• InChIKey: PIVYXHXZJOQNPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[5-(1,3-dioxolan-2-yl)pyridin-3-yl]methyl}(methyl)amine
• IUPAC Traditional name: {[5-(1,3-dioxolan-2-yl)pyridin-3-yl]methyl}(methyl)amine
• Synonyms: N-([5-(1,3-DIOXOLAN-2-YL)PYRIDIN-3-YL]METHYL)-N-METHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.7943347
• LogD (pH = 7.4): -1.4209913
• Log P: 0.29707658
• Molar Refractivity: 52.5283 cm^3
• Polarizability: 20.80848 Å^3
• Polar Surface Area: 43.38 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%