6-iodo-N,N-dimethylpyrazin-2-amine

• ChemBase ID: 64256
• Molecular Formular: C6H8IN3
• Molecular Mass: 249.05229
• Monoisotopic Mass: 248.97629527
• SMILES: n1c(N(C)C)cncc1I
• Canonical SMILES: CN(c1cncc(n1)I)C
• InChI: InChI=1S/C6H8IN3/c1-10(2)6-4-8-3-5(7)9-6/h3-4H,1-2H3
• InChIKey: QACQSWJTVMYKTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-iodo-N,N-dimethylpyrazin-2-amine
• IUPAC Traditional name: 6-iodo-N,N-dimethylpyrazin-2-amine
• Synonyms: 2-(N,N-Dimethylamino)-6-iodopyrazine

Database IDs

• CAS Number: 125060-66-4
• MDL Number: MFCD09265493
• PubChem SID: 162029995
• PubChem CID: 15750131

CALCULATED PROPERTIES

• Log P: 1.2019345
• Molar Refractivity: 49.5569 cm^3
• Polarizability: 18.720942 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.201932
• LogD (pH = 7.4): 1.2019345

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%