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

• ChemBase ID: 50376
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: n1c(c(C)ccc1)CNC
• Canonical SMILES: CNCc1ncccc1C
• InChI: InChI=1S/C8H12N2/c1-7-4-3-5-10-8(7)6-9-2/h3-5,9H,6H2,1-2H3
• InChIKey: VZRNUXANVNOWMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 880361-72-8
• MDL Number: MFCD05864507
• PubChem SID: 162055139
• PubChem CID: 23365109

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.899474
• LogD (pH = 7.4): -0.2288314
• Log P: 0.9088155
• Molar Refractivity: 41.6681 cm^3
• Polarizability: 16.418144 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false