2-N-methylpyrazine-2,3-diamine

• ChemBase ID: 294176
• Molecular Formular: C5H8N4
• Molecular Mass: 124.14382
• Monoisotopic Mass: 124.07489628
• SMILES: CNc1nccnc1N
• Canonical SMILES: CNc1nccnc1N
• InChI: InChI=1S/C5H8N4/c1-7-5-4(6)8-2-3-9-5/h2-3H,1H3,(H2,6,8)(H,7,9)
• InChIKey: LTEALMDLAOASIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 84996-40-7
• MDL Number: MFCD08460070
• PubChem SID: 180679707
• PubChem CID: 16740673

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.62985134
• LogD (pH = 7.4): -0.6293383
• Log P: -0.6293318
• Molar Refractivity: 37.2654 cm^3
• Polarizability: 12.67273 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%