nickel(2+) ion hexaamine dibromide

• ChemBase ID: 303792
• Molecular Formular: Br2N6Ni
• Molecular Mass: 302.5416
• Monoisotopic Mass: 299.79046093
• SMILES: N.N.N.N.N.N.[Ni+2].[Br-].[Br-]
• Canonical SMILES: N.N.N.N.N.N.[Ni+2].[Br-].[Br-]
• InChI: InChI=1S/2BrH.6H3N.Ni/h2*1H;6*1H3;/q;;;;;;;;+2/p-2
• InChIKey: GDRWEJQXKZQPJA-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: nickel(2+) ion hexaamine dibromide
• IUPAC Traditional name: nickel(2+) ion hexaamine dibromide
• Synonyms: Hexaamminenickel(II) bromide; 溴化六氨合镍(II)

Database IDs

• CAS Number: 13601-55-3
• MDL Number: MFCD04039935

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -3.7525723
• LogD (pH = 7.4): -2.4393091
• Log P: -0.978
• Molar Refractivity: 15.5149 cm^3
• Polarizability: 2.2600515 Å^3
• Polar Surface Area: 13.59 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline

Safety Information

• European Hazard Symbols: Toxic (T)
• Risk Statements: 49-43
• Safety Statements: 53-24-37-45
• TSCA Listed: 否
• GHS Pictograms: GHS07; GHS08
• GHS Hazard statements: H350-H317
• GHS Precautionary statements: P261-P280-P302+P352-P321-P405-P501A

Product Information

• Purity: 99.999% (metals basis)