iron(2+) ion dinickel(2+) ion hexakis(iminomethanide)

• ChemBase ID: 110767
• Molecular Formular: C6FeN6Ni2
• Molecular Mass: 329.3362
• Monoisotopic Mass: 327.82406733
• SMILES: [Fe+2].[Ni+2].[Ni+2].[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N
• Canonical SMILES: N#[C-].N#[C-].N#[C-].N#[C-].N#[C-].N#[C-].[Fe+2].[Ni+2].[Ni+2]
• InChI: InChI=1S/6CN.Fe.2Ni/c6*1-2;;;/q6*-1;3*+2
• InChIKey: SWODCICMZQPBPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: iron(2+) ion dinickel(2+) ion hexakis(iminomethanide)
• IUPAC Traditional name: iron(2+) ion dinickel(2+) hexakis(cyanide)
• Synonyms: NICKEL FERROCYANIDE

Database IDs

• CAS Number: 14874-78-3
• PubChem SID: 162096465
• PubChem CID: 6101841

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

DETAILS

MP Biomedicals - 05216241

MP Biomedicals Rare Chemical collection