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

• ChemBase ID: 254381
• Molecular Formular: C7H9ClN2
• Molecular Mass: 156.61276
• Monoisotopic Mass: 156.04542598
• SMILES: n1c(Cl)ccc(c1)CNC
• Canonical SMILES: CNCc1ccc(nc1)Cl
• InChI: InChI=1S/C7H9ClN2/c1-9-4-6-2-3-7(8)10-5-6/h2-3,5,9H,4H2,1H3
• InChIKey: XALCOJXGWJXWBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(6-chloropyridin-3-yl)methyl](methyl)amine
• IUPAC Traditional name: [(6-chloropyridin-3-yl)methyl](methyl)amine
• Synonyms: N-[(6-chloropyridin-3-yl)methyl]-N-methylamine; (6-CHLORO-PYRIDIN-3-YLMETHYL)-METHYL-AMINE; 1-(6-chloro-3-pyridinyl)-N-methylmethanamine

Database IDs

• CAS Number: 120739-62-0
• MDL Number: MFCD09802159
• PubChem SID: 164310291
• PubChem CID: 11094883

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.960757
• LogD (pH = 7.4): -0.6059657
• Log P: 1.138144
• Molar Refractivity: 43.0152 cm^3
• Polarizability: 16.561577 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.81

Product Information

• Purity: 95%; 98%