amino sulfamate

• ChemBase ID: 105724
• Molecular Formular: H4N2O3S
• Molecular Mass: 112.10836
• Monoisotopic Mass: 111.994263
• SMILES: NOS(=O)(=O)N
• Canonical SMILES: NOS(=O)(=O)N
• InChI: InChI=1S/H4N2O3S/c1-5-6(2,3)4/h1H2,(H2,2,3,4)
• InChIKey: BTXCHYCUHBGRMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: amino sulfamate
• IUPAC Traditional name: amino sulfamate
• Synonyms: AMMONIUM SULFAMATE

Database IDs

• CAS Number: 7773-06-0
• EC Number: 231-871-7
• PubChem SID: 162093820
• PubChem CID: 6327662

CALCULATED PROPERTIES

• Acid pKa: 12.361602
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.5586702
• LogD (pH = 7.4): -1.5586239
• Log P: -1.558619
• Molar Refractivity: 19.3759 cm^3
• Polarizability: 8.547841 Å^3
• Polar Surface Area: 95.41 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 135 °C
• Boiling Point: Decomposes at 160 °C
• Vapor Pressure: approximate 0 mm Hg at 20 °C

Safety Information

• Storage Condition: Room Temperature (15-30°C), Desiccate
• RTECS: WO6125000
• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3077
• Hazard Class: 9
• Packing Group: III
• Australian Hazchem: 2X
• Risk Statements: R:22-58
• Safety Statements: S:29-36/37/39-61
• EU Classification: M7
• EU Hazard Identification Number: 13
• Emergency Response Guidebook(ERG) Number: 171

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 02193859

Purity: 99%
Crystalline