ironhexa(15N)carbonitrile

• ChemBase ID: 176845
• Molecular Formular: C6FeN6
• Molecular Mass: 217.90985339
• Monoisotopic Mass: 217.93559089
• SMILES: C(#[15N])[Fe](C#[15N])(C#[15N])(C#[15N])(C#[15N])C#[15N]
• Canonical SMILES: [15N]#C[Fe](C#[15N])(C#[15N])(C#[15N])(C#[15N])C#[15N]
• InChI: InChI=1S/6CN.Fe/c6*1-2;/i6*2+1
• InChIKey: HCMVSLMENOCDCK-KXQXRYAFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ironhexa(^1^5N)carbonitrile
• IUPAC Traditional name: ironhexa(^1^5N)carbonitrile
• Synonyms: Tripotassium Hexacyanoferrate(3-)-15N6; Iron Potassium Cyanide-15N6 (FeK3(CN)6); Potassium Cyanoferrate-15N6 (K3Fe(CN)6); Potassium Ferricyanate-15N6; Potassium Hexacyanoferrate-15N6 (K3Fe(CN)6); Potassium Hexacyanoferrate(III)-15N6; Potassium iIon Cyanide-15N6 (K3Fe(CN)6); Red Prussiate-15N6; Tripotassium Ferric Hexacyanide-15N6; Tripotassium Ferricyanide-15N6; Tripotassium Hexacyanoferrate-15N6; Tripotassium Iron Hexacyanide-15N6; Potassium Ferricyanide(III)-15N6

Database IDs

• CAS Number: 13746-66-2
• PubChem SID: 164232755
• PubChem CID: 71751729

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.2594
• LogD (pH = 7.4): -0.2594
• Log P: -0.2594
• Molar Refractivity: 39.9336 cm^3
• Polarizability: 15.723072 Å^3
• Polar Surface Area: 142.74 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - P697302

It is used in many amperometric biosensors as an electron transfer agent replacing an enzyme's natural electron transfer agent with the enzyme glucose oxidase. It is a major component of Murakami's etchant for cemented carbides.

REFERENCES

• Tao, W. et al.: Anal. Biochem., 338, 332 (2005)
• Chen, C. et al.: Biosens. Bioelec. 24, 2726 (2005)
• Morita, T. et al.: Forest Prod. J., 50, 67 (2005)