3,5-dibromo-N,N-dimethylpyrazin-2-amine

• ChemBase ID: 66717
• Molecular Formular: C6H7Br2N3
• Molecular Mass: 280.94788
• Monoisotopic Mass: 278.90067124
• SMILES: c1(c(nc(cn1)Br)Br)N(C)C
• Canonical SMILES: CN(c1ncc(nc1Br)Br)C
• InChI: InChI=1S/C6H7Br2N3/c1-11(2)6-5(8)10-4(7)3-9-6/h3H,1-2H3
• InChIKey: VZBCSKITGQNOCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dibromo-N,N-dimethylpyrazin-2-amine
• IUPAC Traditional name: 3,5-dibromo-N,N-dimethylpyrazin-2-amine
• Synonyms: 3,5-Dibromo-N,N-dimethylpyrazinamine

Database IDs

• CAS Number: 84539-07-1
• MDL Number: MFCD09842809
• PubChem SID: 162032453
• PubChem CID: 13098165

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.18895
• LogD (pH = 7.4): 2.1889515
• Log P: 2.1889517
• Molar Refractivity: 53.4163 cm^3
• Polarizability: 19.497267 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%