iron(3+) ion triammonium hexakis(iminomethanide)

• ChemBase ID: 112282
• Molecular Formular: C6H12FeN9
• Molecular Mass: 266.06478
• Monoisotopic Mass: 266.05650393
• SMILES: [NH4+].[NH4+].[NH4+].[Fe+3].[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-].[NH4+].[NH4+].[NH4+].[Fe+3]
• InChI: InChI=1S/6CN.Fe.3H3N/c6*1-2;;;;/h;;;;;;;3*1H3/q6*-1;+3;;;/p+3
• InChIKey: YARHBRUWMYJLHY-UHFFFAOYSA-Q

NAMES AND DATABASE IDS

Names

• IUPAC name: iron(3+) ion triammonium hexakis(iminomethanide)
• IUPAC Traditional name: ferric iron triammonium hexakis(cyanide)
• Synonyms: AMMONIUM FERRICYANIDE

Database IDs

• CAS Number: 14221-48-8
• EC Number: 238-091-6
• PubChem SID: 162097445
• PubChem CID: 161038

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

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: R:36/37/38
• Safety Statements: S:20-25-26-37/39