[(6-chloropyrazin-2-yl)methyl]dimethylamine

• ChemBase ID: 308025
• Molecular Formular: C7H10ClN3
• Molecular Mass: 171.6274
• Monoisotopic Mass: 171.05632502
• SMILES: n1c(CN(C)C)cncc1Cl
• Canonical SMILES: CN(Cc1cncc(n1)Cl)C
• InChI: InChI=1S/C7H10ClN3/c1-11(2)5-6-3-9-4-7(8)10-6/h3-4H,5H2,1-2H3
• InChIKey: KZPIIZVVZFYZAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(6-chloropyrazin-2-yl)methyl]dimethylamine
• IUPAC Traditional name: [(6-chloropyrazin-2-yl)methyl]dimethylamine
• Synonyms: 1-(6-chloro-2-pyrazinyl)-N,N-dimethylmethanamine

Database IDs

• MDL Number: MFCD10686554

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.8881581
• LogD (pH = 7.4): 0.2969325
• Log P: 0.38499147
• Molar Refractivity: 45.6308 cm^3
• Polarizability: 17.541538 Å^3
• Polar Surface Area: 29.02 Å^2