nickel(2+) ion disulfamate

• ChemBase ID: 108972
• Molecular Formular: H4N2NiO6S2
• Molecular Mass: 250.86496
• Monoisotopic Mass: 249.88642076
• SMILES: [Ni+2].NS(=O)(=O)[O-].NS(=O)(=O)[O-]
• Canonical SMILES: [O-]S(=O)(=O)N.[O-]S(=O)(=O)N.[Ni+2]
• InChI: InChI=1S/2H3NO3S.Ni/c2*1-5(2,3)4;/h2*(H3,1,2,3,4);/q;;+2/p-2
• InChIKey: KERTUBUCQCSNJU-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: nickel(2+) ion disulfamate
• IUPAC Traditional name: nickel(2+) disulfamate; nickel(2+) ion diorganosulfonate
• Synonyms: NICKEL SULFAMINATE; Nickel(II) sulfamate hydrate; Nickel(II) sulfamate; 氨基磺酸镍(II)水合物; 氨基磺酸镍(II)

Database IDs

• CAS Number: 13770-89-3
• EC Number: 237-396-1
• MDL Number: MFCD00137261
• PubChem SID: 162094780
• PubChem CID: 83720

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

• Apperance: Crystalline; Liquid

Safety Information

• RTECS: QR9275000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: UN3077; UN3082
• Hazard Class: 9
• Packing Group: III
• Risk Statements: 49-61-42/43-48/23-68-50/53
• Safety Statements: 53-45-60-61
• TSCA Listed: 是
• GHS Pictograms: GHS08; GHS09
• GHS Hazard statements: H334-H350-H360-H372-H317-H341-H400-H410
• GHS Precautionary statements: P260-P285-P302+P352-P321-P405-P501A

Product Information

• Purity: 50% w/w aq. soln., Reagent Grade

DETAILS

MP Biomedicals - 05209402

MP Biomedicals Rare Chemical collection