nickel(2+) ion bis(iminomethanide)

• ChemBase ID: 112697
• Molecular Formular: C2N2Ni
• Molecular Mass: 110.7282
• Monoisotopic Mass: 109.94149091
• SMILES: [Ni+2].[C-]#N.[C-]#N
• Canonical SMILES: N#[C-].N#[C-].[Ni+2]
• InChI: InChI=1S/2CN.Ni/c2*1-2;/q2*-1;+2
• InChIKey: NLEUXPOVZGDKJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nickel(2+) ion bis(iminomethanide)
• IUPAC Traditional name: nickel(2+) bis(cyanide)
• Synonyms: NICKEL CYANIDE

Database IDs

• CAS Number: 557-19-7
• EC Number: 209-160-8
• PubChem SID: 162097475
• PubChem CID: 6093189

CALCULATED PROPERTIES

• Acid pKa: 9.5
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.34610683
• LogD (pH = 7.4): -0.33904728
• Log P: -0.34619832
• Molar Refractivity: 15.8149 cm^3
• Polarizability: 2.6105857 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: QR6495000
• European Hazard Symbols: Harmful (Xn)
• Risk Statements: R:40-43
• Safety Statements: S:22-36