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

• ChemBase ID: 814945
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: C(NC)c1cncc(c1)C
• Canonical SMILES: CNCc1cncc(c1)C
• InChI: InChI=1S/C8H12N2/c1-7-3-8(5-9-2)6-10-4-7/h3-4,6,9H,5H2,1-2H3
• InChIKey: WLGWEXAILDKZJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1060801-53-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3046389
• LogD (pH = 7.4): -1.0201466
• Log P: 0.8273436
• Molar Refractivity: 42.1903 cm^3
• Polarizability: 16.417065 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%