nickel(2+) ion dioctadecanoate

• ChemBase ID: 303380
• Molecular Formular: C36H70NiO4
• Molecular Mass: 625.632
• Monoisotopic Mass: 624.46275362
• SMILES: CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Ni+2]
• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Ni+2]
• InChI: InChI=1S/2C18H36O2.Ni/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2
• InChIKey: JMWUYEFBFUCSAK-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: nickel(2+) ion dioctadecanoate
• IUPAC Traditional name: nickel(2+) ion bis(n-octadecanoate)
• Synonyms: Nickel(II) stearate; 硬脂酸镍(II)

Database IDs

• CAS Number: 2223-95-2
• EC Number: 218-744-1
• MDL Number: MFCD00054344

CALCULATED PROPERTIES

• Acid pKa: 4.9520197
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.4899144
• LogD (pH = 7.4): 4.7307796
• Log P: 7.14572
• Molar Refractivity: 97.1227 cm^3
• Polarizability: 34.295197 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 32
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Powder
• Density: 1.13

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: UN3077
• 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