hydroxyazanium; nitrooxidane

• ChemBase ID: 127755
• Molecular Formular: H4N2O4
• Molecular Mass: 96.04276
• Monoisotopic Mass: 96.01710662
• SMILES: [NH3+]O.[N+](=O)([O-])[O-]
• Canonical SMILES: [O-][N+](=O)[O-].[NH3+]O
• InChI: InChI=1S/NO3.H4NO/c2-1(3)4;1-2/h;2H,1H3/q-1;+1
• InChIKey: CRJZNQFRBUFHTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hydroxyazanium; nitrooxidane
• IUPAC Traditional name: hydroxyazanium nitronate
• Synonyms: Hydroxylammonium nitrate

Database IDs

• CAS Number: 13465-08-2
• EC Number: 236-691-2
• PubChem SID: 162222073
• PubChem CID: 26045
• Chemspider ID: 24259
• Wikipedia Title: Hydroxylammonium_nitrate

CALCULATED PROPERTIES

• Acid pKa: -1.3999903
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.3479722
• LogD (pH = 7.4): -2.3479848
• Log P: 0.028413763
• Molar Refractivity: 9.8534 cm^3
• Polarizability: 3.4222581 Å^3
• Polar Surface Area: 68.88 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in water

Safety Information

• European Hazard Symbols: Carc3; Explosive (E); Nature polluting (N); Toxic (T); Irritant (Xi); Harmful (Xn)
• Risk Statements: R2, R22, R24, R36/38, R40, R43, R48/22, R50
• Safety Statements: S1/2, S26, S36/37, S45, S61
• EU Index: 007-028-00-2