ammonium dinitroazanide

• ChemBase ID: 125820
• Molecular Formular: H4N4O4
• Molecular Mass: 124.05616
• Monoisotopic Mass: 124.02325463
• SMILES: [NH4+].[N-]([N+](=O)[O-])[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)[N-][N+](=O)[O-].[NH4+]
• InChI: InChI=1S/N3O4.H3N/c4-2(5)1-3(6)7;/h;1H3/q-1;/p+1
• InChIKey: BRUFJXUJQKYQHA-UHFFFAOYSA-O

NAMES AND DATABASE IDS

Names

• IUPAC name: ammonium dinitroazanide
• IUPAC Traditional name: ammonium dinitroazanide
• Synonyms: Ammonium dinitramide

Database IDs

• CAS Number: 140456-78-6
• PubChem SID: 162220166
• PubChem CID: 10219428
• Chemspider ID: 8394920
• Wikipedia Title: Ammonium_dinitramide

CALCULATED PROPERTIES

• Acid pKa: -0.84579366
• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 0.8340298
• LogD (pH = 7.4): 0.8340299
• Log P: -0.07402773
• Molar Refractivity: 18.3168 cm^3
• Polarizability: 5.9593205 Å^3
• Polar Surface Area: 100.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 93°C
• Boiling Point: decompose
• Density: 1.81 g/cm^3