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124594-15-6 molecular structure
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nickel(2+) ion tetrahydrate disulfamate

ChemBase ID: 147993
Molecular Formular: H12N2NiO10S2
Molecular Mass: 322.92608
Monoisotopic Mass: 321.92867949
SMILES and InChIs

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

Cite this record

CBID:147993 http://www.chembase.cn/molecule-147993.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
124594-15-6
EC Number
237-396-1
MDL Number
MFCD00149966
PubChem SID
24855871
162242173
PubChem CID
16211747

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16211747 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -1.810121  H Acceptors
H Donor LogD (pH = 5.5) -3.7928216 
LogD (pH = 7.4) -3.7928267  Log P -1.416428 
Molar Refractivity 14.1845 cm3 Polarizability 6.7155023 Å3
Polar Surface Area 83.22 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
solid expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-40-41-43-50/53 expand Show data source
Safety Statements
26-36/37/39-60-61 expand Show data source
GHS Pictograms
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H317-H334-H341-H350i-H360D-H372-H410 expand Show data source
GHS Precautionary statements
P201-P261-P273-P280-P308 + P313-P501 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
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 expand Show data source
Purity
98% expand Show data source
Grade
CP expand Show data source
Linear Formula
Ni(SO3NH2)2 · 4H2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 262277 external link
Packaging
500 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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