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

• ChemBase ID: 307520
• Molecular Formular: C8H12N2O
• Molecular Mass: 152.19368
• Monoisotopic Mass: 152.09496301
• SMILES: n1c(cc(cc1)OC)CNC
• Canonical SMILES: CNCc1nccc(c1)OC
• InChI: InChI=1S/C8H12N2O/c1-9-6-7-5-8(11-2)3-4-10-7/h3-5,9H,6H2,1-2H3
• InChIKey: HWYQBQSYCFSEKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-methoxypyridin-2-yl)methyl](methyl)amine
• IUPAC Traditional name: [(4-methoxypyridin-2-yl)methyl](methyl)amine
• Synonyms: 1-(4-methoxypyridin-2-yl)-N-methylmethanamine; (4-METHOXY-PYRIDIN-2-YLMETHYL)-METHYL-AMINE

Database IDs

• CAS Number: 936940-51-1
• MDL Number: MFCD10686549

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.3960707
• LogD (pH = 7.4): -0.68128335
• Log P: 0.23772284
• Molar Refractivity: 43.0901 cm^3
• Polarizability: 17.149393 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%