methyl[(2-methylpyridin-3-yl)methyl]amine

• ChemBase ID: 814699
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: C(NC)c1c(nccc1)C
• Canonical SMILES: Cc1ncccc1CNC
• InChI: InChI=1S/C8H12N2/c1-7-8(6-9-2)4-3-5-10-7/h3-5,9H,6H2,1-2H3
• InChIKey: GMVYJUKSDIHVJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(2-methylpyridin-3-yl)methyl]amine
• IUPAC Traditional name: methyl[(2-methylpyridin-3-yl)methyl]amine
• Synonyms: N-methyl-1-(2-methylpyridin-3-yl)methanamine

Database IDs

• CAS Number: 677349-96-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6994517
• LogD (pH = 7.4): -1.4310133
• Log P: 0.44529238
• Molar Refractivity: 41.7406 cm^3
• Polarizability: 16.417492 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%