6-chloro-N-methylpyrazin-2-amine

• ChemBase ID: 49211
• Molecular Formular: C5H6ClN3
• Molecular Mass: 143.57424
• Monoisotopic Mass: 143.02502489
• SMILES: n1c(NC)cncc1Cl
• Canonical SMILES: CNc1cncc(n1)Cl
• InChI: InChI=1S/C5H6ClN3/c1-7-5-3-8-2-4(6)9-5/h2-3H,1H3,(H,7,9)
• InChIKey: PGGYLQQGCOJVSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N-methylpyrazin-2-amine
• IUPAC Traditional name: 6-chloro-N-methylpyrazin-2-amine
• Synonyms: 6-Chloro-N-methyl-2-pyrazinamine; 6-Chloro-N-methylpyrazin-2-amine; 2-Chloro-6-(methylamino)pyrazine; 6-Chloro-N-methylpyrazin-2-amine

Database IDs

• CAS Number: 848366-38-1
• MDL Number: MFCD09878383
• PubChem SID: 162053974
• PubChem CID: 26967011

CALCULATED PROPERTIES

• Acid pKa: 19.644325
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.4293575
• LogD (pH = 7.4): 0.42935845
• Log P: 0.42935848
• Molar Refractivity: 38.1176 cm^3
• Polarizability: 13.514652 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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

Product Information

• Purity: 95+%; 98%