ammonium sulfamate

• ChemBase ID: 125838
• Molecular Formular: H6N2O3S
• Molecular Mass: 114.12424
• Monoisotopic Mass: 114.00991306
• SMILES: [O-]S(=O)(=O)N.[NH4+]
• Canonical SMILES: [O-]S(=O)(=O)N.[NH4+]
• InChI: InChI=1S/H3NO3S.H3N/c1-5(2,3)4;/h(H3,1,2,3,4);1H3
• InChIKey: GEHMBYLTCISYNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ammonium sulfamate
• IUPAC Traditional name: ammonium organosulfonate; ammonium sulfamate
• Synonyms: Ammonium sulfamate, ACS; Sulfamic acid ammonium salt; Ammonium sulfamate; Ammonium sulphamate; Ammonium sulfamate; 磺酸铵, ACS; 磺酸铵

Database IDs

• CAS Number: 7773-06-0
• EC Number: 231-871-7
• MDL Number: MFCD00011429
• Merck Index: 14554
• PubChem SID: 162220183
• PubChem CID: 24482
• Chemspider ID: 22890
• KEGG ID: C18773
• Wikipedia Title: Ammonium_sulfamate

CALCULATED PROPERTIES

• Acid pKa: -1.810121
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.7928216
• LogD (pH = 7.4): -3.7928267
• Log P: -1.416428
• Molar Refractivity: 14.1845 cm^3
• Polarizability: 6.7155023 Å^3
• Polar Surface Area: 83.22 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: soluble in glycerol, glycol, formamide ; insoluble in methanol, ether, n-octanol; very soluble in water; Very soluble in water, liquid ammonia. Slightly soluble in ethanol, glycerol, glycol
• Apperance: Crystalline; White solid ; hygroscopic
• Melting Point: 131°C; 131-135°C
• Boiling Point: 160 °C decomp.; 160°C dec.
• Flash Point: Non-flammable
• Density: 1.8 g/cm^3
• pKa: 6

Safety Information

• Storage Warning: Hygroscopic
• RTECS: WO6125000
• European Hazard Symbols: X
• Risk Statements: 22
• Safety Statements: 36
• TSCA Listed: 是
• EU Index: Not listed
• GHS Pictograms: GHS07
• Main Hazard: Irritant
• NFPA704:
  

  0

  2

  0
• LD50: 2000 mg/kg, oral (rat)
• GHS Hazard statements: H302
• GHS Precautionary statements: P264-P270-P301+P312-P330-P501A

Product Information

• Purity: 95+%; 98% min; 98+%