pyrazine-2,3-diamine

• ChemBase ID: 66803
• Molecular Formular: C4H6N4
• Molecular Mass: 110.11724
• Monoisotopic Mass: 110.05924621
• SMILES: c1(c(nccn1)N)N
• Canonical SMILES: Nc1nccnc1N
• InChI: InChI=1S/C4H6N4/c5-3-4(6)8-2-1-7-3/h1-2H,(H2,5,7)(H2,6,8)
• InChIKey: CAFSXVAFGILCCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrazine-2,3-diamine
• IUPAC Traditional name: pyrazine-2,3-diamine
• Synonyms: 2,3-Diaminopyrazine; pyrazine-2,3-diamine

Database IDs

• CAS Number: 13134-31-1
• MDL Number: MFCD07778385
• PubChem SID: 162032539
• PubChem CID: 284161

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.9316792
• LogD (pH = 7.4): -0.931044
• Log P: -0.9310359
• Molar Refractivity: 31.772 cm^3
• Polarizability: 10.842443 Å^3
• Polar Surface Area: 77.82 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%; 98%