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

• ChemBase ID: 75866
• Molecular Formular: C7H9ClN2
• Molecular Mass: 156.61276
• Monoisotopic Mass: 156.04542598
• SMILES: n1c(cc(cc1)CNC)Cl
• Canonical SMILES: CNCc1ccnc(c1)Cl
• InChI: InChI=1S/C7H9ClN2/c1-9-5-6-2-3-10-7(8)4-6/h2-4,9H,5H2,1H3
• InChIKey: NIBLXLUVASMQFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-chloropyridin-4-yl)methyl](methyl)amine
• IUPAC Traditional name: [(2-chloropyridin-4-yl)methyl](methyl)amine
• Synonyms: N-[(2-chloropyridin-4-yl)methyl]-N-methylamine; N-[(2-Chloropyridin-4-yl)methyl]-N-methylamine; 2-Chloro-4-[(methylamino)methyl]pyridine 97%

Database IDs

• CAS Number: 748187-76-0
• MDL Number: MFCD06654462
• PubChem SID: 162040784
• PubChem CID: 2794168

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9667747
• LogD (pH = 7.4): -0.6267264
• Log P: 1.138144
• Molar Refractivity: 43.0152 cm^3
• Polarizability: 16.5619 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 97%; 98%