ammonium nitrite

• ChemBase ID: 107795
• Molecular Formular: H4N2O2
• Molecular Mass: 64.04396
• Monoisotopic Mass: 64.02727738
• SMILES: [NH4+].[O-]N=O
• Canonical SMILES: [O-]N=O.[NH4+]
• InChI: InChI=1S/HNO2.H3N/c2-1-3;/h(H,2,3);1H3
• InChIKey: CAMXVZOXBADHNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ammonium nitrite
• IUPAC Traditional name: ammonium nitrite
• Synonyms: Ammonium nitrite; AMMONIUM NITRITE, 20% SOLUTION

Database IDs

• CAS Number: 13446-48-5
• EC Number: 236-598-7
• PubChem SID: 162093782
• PubChem CID: 26004
• Chemspider ID: 24223
• Wikipedia Title: Ammonium_nitrite

CALCULATED PROPERTIES

• Acid pKa: 3.3200002
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.8028829
• LogD (pH = 7.4): -2.2017875
• Log P: 0.16613764
• Molar Refractivity: 7.6 cm^3
• Polarizability: 2.4691868 Å^3
• Polar Surface Area: 52.49 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: pale yellow crystals, slowly decomposes to nitrogen and water
• Density: 1.08 g/ml

Safety Information

• European Hazard Symbols: Oxidising (O)
• Risk Statements: R:9-18
• Safety Statements: S:13-16-27