nickel(2+) ion tetrahydrate disulfamate

• ChemBase ID: 147993
• Molecular Formular: H12N2NiO10S2
• Molecular Mass: 322.92608
• Monoisotopic Mass: 321.92867949
• SMILES: NS(=O)(=O)[O-].NS(=O)(=O)[O-].O.O.O.O.[Ni+2]
• Canonical SMILES: [O-]S(=O)(=O)N.[O-]S(=O)(=O)N.O.O.O.O.[Ni+2]
• InChI: InChI=1S/2H3NO3S.Ni.4H2O/c2*1-5(2,3)4;;;;;/h2*(H3,1,2,3,4);;4*1H2/q;;+2;;;;/p-2
• InChIKey: TXRHHNYLWVQULI-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: nickel(2+) ion tetrahydrate disulfamate
• IUPAC Traditional name: nickel(2+) ion tetrahydrate disulfamate
• Synonyms: Nickel(II) sulfamate tetrahydrate; 氨基磺酸镍(II) 四水合物

Database IDs

• CAS Number: 124594-15-6
• EC Number: 237-396-1
• MDL Number: MFCD00149966
• PubChem SID: 24855871; 162242173
• PubChem CID: 16211747

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: solid

Safety Information

• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-40-41-43-50/53
• Safety Statements: 26-36/37/39-60-61
• GHS Pictograms: GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H317-H334-H341-H350i-H360D-H372-H410
• GHS Precautionary statements: P201-P261-P273-P280-P308 + P313-P501
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves; Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

Product Information

• Purity: 98%
• Grade: CP
• Linear Formula: Ni(SO3NH2)2 · 4H2O

DETAILS

Sigma Aldrich - 262277

Packaging
500 g in glass bottle