[(4-chloropyridin-3-yl)methyl](methyl)amine

• ChemBase ID: 815135
• Molecular Formular: C7H9ClN2
• Molecular Mass: 156.61276
• Monoisotopic Mass: 156.04542598
• SMILES: C(NC)c1cnccc1Cl
• Canonical SMILES: CNCc1cnccc1Cl
• InChI: InChI=1S/C7H9ClN2/c1-9-4-6-5-10-3-2-7(6)8/h2-3,5,9H,4H2,1H3
• InChIKey: MPPIMFJEBUWHPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-chloropyridin-3-yl)methyl](methyl)amine
• IUPAC Traditional name: [(4-chloropyridin-3-yl)methyl](methyl)amine
• Synonyms: 1-(4-chloropyridin-3-yl)-N-methylmethanamine

Database IDs

• CAS Number: 823189-18-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8794372
• LogD (pH = 7.4): -0.20269889
• Log P: 0.9179669
• Molar Refractivity: 41.9539 cm^3
• Polarizability: 16.506563 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%