2-N,2-N-dimethylpyrazine-2,3-diamine

• ChemBase ID: 66809
• Molecular Formular: C6H10N4
• Molecular Mass: 138.1704
• Monoisotopic Mass: 138.09054634
• SMILES: c1(c(nccn1)N(C)C)N
• Canonical SMILES: CN(c1nccnc1N)C
• InChI: InChI=1S/C6H10N4/c1-10(2)6-5(7)8-3-4-9-6/h3-4H,1-2H3,(H2,7,8)
• InChIKey: WBWGIOMHENHMFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-N,2-N-dimethylpyrazine-2,3-diamine
• IUPAC Traditional name: 2-N,2-N-dimethylpyrazine-2,3-diamine
• Synonyms: 2-Amino-3-(dimethylamino)pyrazine

Database IDs

• CAS Number: 89488-74-4
• MDL Number: MFCD08460072
• PubChem SID: 162032545
• PubChem CID: 45789608

CALCULATED PROPERTIES

• Acid pKa: 19.87647
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.005129464
• LogD (pH = 7.4): 0.005923789
• Log P: 0.0059339264
• Molar Refractivity: 41.5002 cm^3
• Polarizability: 14.50653 Å^3
• Polar Surface Area: 55.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%