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

• ChemBase ID: 814879
• Molecular Formular: C7H9ClN2
• Molecular Mass: 156.61276
• Monoisotopic Mass: 156.04542598
• SMILES: C(NC)c1nc(ccc1)Cl
• Canonical SMILES: CNCc1cccc(n1)Cl
• InChI: InChI=1S/C7H9ClN2/c1-9-5-6-3-2-4-7(8)10-6/h2-4,9H,5H2,1H3
• InChIKey: DUNISPOJFXGSHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 897394-63-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4811416
• LogD (pH = 7.4): 0.22819413
• Log P: 1.2196159
• Molar Refractivity: 42.493 cm^3
• Polarizability: 16.562933 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%