[(2-methoxypyridin-4-yl)methyl](methyl)amine

• ChemBase ID: 814767
• Molecular Formular: C8H12N2O
• Molecular Mass: 152.19368
• Monoisotopic Mass: 152.09496301
• SMILES: C(NC)c1cc(ncc1)OC
• Canonical SMILES: CNCc1ccnc(c1)OC
• InChI: InChI=1S/C8H12N2O/c1-9-6-7-3-4-10-8(5-7)11-2/h3-5,9H,6H2,1-2H3
• InChIKey: BMFZKBUDQUCZNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-methoxypyridin-4-yl)methyl](methyl)amine
• IUPAC Traditional name: [(2-methoxypyridin-4-yl)methyl](methyl)amine
• Synonyms: 1-(2-methoxypyridin-4-yl)-N-methylmethanamine

Database IDs

• CAS Number: 1060806-95-2

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.3557608
• LogD (pH = 7.4): -1.0196118
• Log P: 0.75070846
• Molar Refractivity: 43.9258 cm^3
• Polarizability: 17.154573 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%