nickel(2+) ion bis([3-(hydroxyimino)butan-2-ylidene](oxido)amine)

• ChemBase ID: 110780
• Molecular Formular: C8H14N4NiO4
• Molecular Mass: 288.91456
• Monoisotopic Mass: 288.03684785
• SMILES: [Ni+2].C/C(=N\O)/C(=N/[O-])/C.C/C(=N\O)/C(=N/[O-])/C
• Canonical SMILES: [O-]/N=C(/C(=N/O)/C)\C.[O-]/N=C(/C(=N/O)/C)\C.[Ni+2]
• InChI: InChI=1S/2C4H8N2O2.Ni/c2*1-3(5-7)4(2)6-8;/h2*7-8H,1-2H3;/q;;+2/p-2
• InChIKey: UNMGLSGVXHBBPH-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: nickel(2+) ion bis([3-(hydroxyimino)butan-2-ylidene](oxido)amine); nickel(2+) ion bis((E)-[(3E)-3-(hydroxyimino)butan-2-ylidene](oxido)amine)
• IUPAC Traditional name: nickel(2+) bis([3-(hydroxyimino)butan-2-ylidene](oxido)amine); nickel(2+) ion bis((E)-[(3E)-3-(hydroxyimino)butan-2-ylidene](oxido)amine)
• Synonyms: NICKEL DIMETHYLGLYOXIME; Nickel dimethylglyoxime; 丁二酮肟镍

Database IDs

• CAS Number: 46755-15-1; 13478-93-8
• EC Number: 236-782-7
• MDL Number: MFCD00136028
• PubChem SID: 162095908
• PubChem CID: 25021988

CALCULATED PROPERTIES

• Acid pKa: 7.886533
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.4126258
• LogD (pH = 7.4): 0.29240566
• Log P: 0.41445905
• Molar Refractivity: 28.0625 cm^3
• Polarizability: 10.653149 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Insoluble in water. Soluble in mineral acids
• Apperance: Powder
• Melting Point: 250°C subl.

Safety Information

• European Hazard Symbols: X; Irritant (Xi)
• Risk Statements: 36/37/38-40-43; R:36/37/38
• Safety Statements: 26-36/37; S:20-25-26-37/39
• TSCA Listed: 否
• GHS Pictograms: GHS07; GHS08
• GHS Hazard statements: H351-H315-H319-H317-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 05216295

MP Biomedicals Rare Chemical collection