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

• ChemBase ID: 259390
• Molecular Formular: C8H11ClN2
• Molecular Mass: 170.63934
• Monoisotopic Mass: 170.06107604
• SMILES: n1c(Cl)ccc(c1)CN(C)C
• Canonical SMILES: CN(Cc1ccc(nc1)Cl)C
• InChI: InChI=1S/C8H11ClN2/c1-11(2)6-7-3-4-8(9)10-5-7/h3-5H,6H2,1-2H3
• InChIKey: HVWFBPPAYRVHFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(6-chloropyridin-3-yl)methyl]dimethylamine
• IUPAC Traditional name: [(6-chloropyridin-3-yl)methyl]dimethylamine
• Synonyms: [(6-chloropyridin-3-yl)methyl]dimethylamine; 1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine

Database IDs

• CAS Number: 221146-31-2
• MDL Number: MFCD00716846
• PubChem SID: 164315300
• PubChem CID: 12056677

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.0818895
• LogD (pH = 7.4): 0.6918178
• Log P: 1.521192
• Molar Refractivity: 48.3099 cm^3
• Polarizability: 18.401545 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.276

Product Information

• Purity: 95%