tetraammonium hexacyanoironbis(ylium)

• ChemBase ID: 109162
• Molecular Formular: C6H16FeN10++++++
• Molecular Mass: 284.10324
• Monoisotopic Mass: 284.09087806
• SMILES: [NH4+].[NH4+].[NH4+].[NH4+].N#C[Fe+2](C#N)(C#N)(C#N)(C#N)C#N
• Canonical SMILES: N#C[Fe+2](C#N)(C#N)(C#N)(C#N)C#N.[NH4+].[NH4+].[NH4+].[NH4+]
• InChI: InChI=1S/6CN.Fe.4H3N/c6*1-2;;;;;/h;;;;;;;4*1H3/q;;;;;;+2;;;;/p+4
• InChIKey: ZIFWMDMILDLEKZ-UHFFFAOYSA-R

NAMES AND DATABASE IDS

Names

• IUPAC name: tetraammonium hexacyanoironbis(ylium)
• IUPAC Traditional name: tetraammonium hexacyanoironbis(ylium)
• Synonyms: AMMONIUM FERROCYANIDE

Database IDs

• CAS Number: 14481-29-9
• EC Number: 238-476-9
• PubChem SID: 162095026
• PubChem CID: 17756740

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

PROPERTIES

Safety Information

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