pyrazine-2,6-diamine

• ChemBase ID: 70287
• Molecular Formular: C4H6N4
• Molecular Mass: 110.11724
• Monoisotopic Mass: 110.05924621
• SMILES: c1(cncc(n1)N)N
• Canonical SMILES: Nc1cncc(n1)N
• InChI: InChI=1S/C4H6N4/c5-3-1-7-2-4(6)8-3/h1-2H,(H4,5,6,8)
• InChIKey: GYRUCENCQMAGLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrazine-2,6-diamine
• IUPAC Traditional name: 2,6-pyrazinediamine
• Synonyms: 2,6-Diaminopyrazine; 2,6-Pyrazinediamine(9CI)

Database IDs

• CAS Number: 41536-80-5
• PubChem SID: 162036010
• PubChem CID: 534688

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.9456404
• LogD (pH = 7.4): -0.9312229
• Log P: -0.9310359
• Molar Refractivity: 31.772 cm^3
• Polarizability: 10.842029 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%