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

• ChemBase ID: 814766
• Molecular Formular: C8H12N2O
• Molecular Mass: 152.19368
• Monoisotopic Mass: 152.09496301
• SMILES: C(NC)c1nc(ccc1)OC
• Canonical SMILES: CNCc1cccc(n1)OC
• InChI: InChI=1S/C8H12N2O/c1-9-6-7-4-3-5-8(10-7)11-2/h3-5,9H,6H2,1-2H3
• InChIKey: ZCDSYDMWOVSOBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(6-methoxypyridin-2-yl)methyl](methyl)amine
• IUPAC Traditional name: [(6-methoxypyridin-2-yl)methyl](methyl)amine
• Synonyms: 1-(6-methoxypyridin-2-yl)-N-methylmethanamine

Database IDs

• CAS Number: 1060806-94-1

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8717295
• LogD (pH = 7.4): -0.16320759
• Log P: 0.8321804
• Molar Refractivity: 43.4036 cm^3
• Polarizability: 17.155663 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%