[(5-methoxypyridin-3-yl)methyl](methyl)amine

• ChemBase ID: 814961
• Molecular Formular: C8H12N2O
• Molecular Mass: 152.19368
• Monoisotopic Mass: 152.09496301
• SMILES: C(NC)c1cncc(c1)OC
• Canonical SMILES: CNCc1cncc(c1)OC
• InChI: InChI=1S/C8H12N2O/c1-9-4-7-3-8(11-2)6-10-5-7/h3,5-6,9H,4H2,1-2H3
• InChIKey: UQUCOEHTKOZANI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-methoxypyridin-3-yl)methyl](methyl)amine
• IUPAC Traditional name: [(5-methoxypyridin-3-yl)methyl](methyl)amine
• Synonyms: 1-(5-methoxypyridin-3-yl)-N-methylmethanamine

Database IDs

• CAS Number: 179873-54-2

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.9231524
• LogD (pH = 7.4): -1.5228382
• Log P: 0.15625095
• Molar Refractivity: 43.6123 cm^3
• Polarizability: 17.151941 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%