methyl[(6-methylpyridin-3-yl)methyl]amine

• ChemBase ID: 815612
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: C(NC)c1cnc(cc1)C
• Canonical SMILES: CNCc1ccc(nc1)C
• InChI: InChI=1S/C8H12N2/c1-7-3-4-8(5-9-2)6-10-7/h3-4,6,9H,5H2,1-2H3
• InChIKey: CDELADZXJDHPDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(6-methylpyridin-3-yl)methyl]amine
• IUPAC Traditional name: methyl[(6-methylpyridin-3-yl)methyl]amine
• Synonyms: N-methyl-1-(6-methylpyridin-3-yl)methanamine

Database IDs

• CAS Number: 120740-02-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6950774
• LogD (pH = 7.4): -1.4208969
• Log P: 0.44529238
• Molar Refractivity: 41.7406 cm^3
• Polarizability: 16.417295 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%