6-chloro-N,N-diethylpyrazin-2-amine

• ChemBase ID: 48399
• Molecular Formular: C8H12ClN3
• Molecular Mass: 185.65398
• Monoisotopic Mass: 185.07197508
• SMILES: n1c(N(CC)CC)cncc1Cl
• Canonical SMILES: CCN(c1cncc(n1)Cl)CC
• InChI: InChI=1S/C8H12ClN3/c1-3-12(4-2)8-6-10-5-7(9)11-8/h5-6H,3-4H2,1-2H3
• InChIKey: RCKIIPAATCGXKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N,N-diethylpyrazin-2-amine
• IUPAC Traditional name: 6-chloro-N,N-diethylpyrazin-2-amine
• Synonyms: N-(6-Chloro-2-pyrazinyl)-N,N-diethylamine; 6-Chloro-N,N-diethylpyrazin-2-amine; 2-Chloro-6-(diethylamino)pyrazine

Database IDs

• CAS Number: 951885-43-1
• MDL Number: MFCD09801002
• PubChem SID: 162053162
• PubChem CID: 26370046

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7782378
• LogD (pH = 7.4): 1.7782401
• Log P: 1.7782401
• Molar Refractivity: 51.8496 cm^3
• Polarizability: 19.003986 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false