bis(hydroxyazanium) sulfate

• ChemBase ID: 127756
• Molecular Formular: H8N2O6S
• Molecular Mass: 164.13832
• Monoisotopic Mass: 164.01030699
• SMILES: [O-]S(=O)(=O)[O-].O[NH3+].O[NH3+]
• Canonical SMILES: [O-]S(=O)(=O)[O-].[NH3+]O.[NH3+]O
• InChI: InChI=1S/2H4NO.H2O4S/c2*1-2;1-5(2,3)4/h2*2H,1H3;(H2,1,2,3,4)/q2*+1;/p-2
• InChIKey: VGYYSIDKAKXZEE-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(hydroxyazanium) sulfate
• IUPAC Traditional name: bis(hydroxyazanium) sulfate
• Synonyms: Hydroxylamine sulfate; Hydroxylammonium sulfate

Database IDs

• CAS Number: 10039-54-0
• EC Number: 233-118-8
• PubChem SID: 162222074
• PubChem CID: 24846
• Chemspider ID: 23229
• Wikipedia Title: Hydroxylammonium_sulfate

CALCULATED PROPERTIES

• Acid pKa: -3.034349
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -5.569452
• LogD (pH = 7.4): -5.594027
• Log P: -0.841552
• Molar Refractivity: 11.5274 cm^3
• Polarizability: 6.037845 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 58.7 g/100 ml (20 °C) in water
• Apperance: white crystalline to fine product, slightly hygroscopic
• Melting Point: around 120 °C decomp.
• Density: 1.88 g/cm^3

Safety Information

• RTECS: NC5425000
• European Hazard Symbols: Carc3; Explosive (E); Nature polluting (N); Toxic (T); Irritant (Xi); Harmful (Xn)
• UN Number: 2865
• Risk Statements: R2, R21/22, R36/38, R40, R43, R48/22, R50
• Safety Statements: S2, S36/37, S61
• EU Index: 612-123-00-2
• NFPA704:
  

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