ammonium disodium azaniumylpentacyanoironbis(ylium) pentahydrate

• ChemBase ID: 107242
• Molecular Formular: C5H17FeN7Na2O5++++++
• Molecular Mass: 357.05692
• Monoisotopic Mass: 357.04359274
• SMILES: [NH4+].O.O.O.O.O.[Na+].[Na+].[NH3+][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)[NH3+].[NH4+].O.O.O.O.O.[Na+].[Na+]
• InChI: InChI=1S/5CN.Fe.2H3N.2Na.5H2O/c5*1-2;;;;;;;;;;/h;;;;;;2*1H3;;;5*1H2/q;;;;;+3;;;2*+1;;;;;/p+1
• InChIKey: AWAIZGNICQYYEX-UHFFFAOYSA-O

NAMES AND DATABASE IDS

Names

• IUPAC name: ammonium disodium azaniumylpentacyanoironbis(ylium) pentahydrate
• IUPAC Traditional name: ammonium dipotassium aminiopentacyanoironbis(ylium) pentahydrate
• Synonyms: SODIUM PENTACYANOAMMINE FERROATE

Database IDs

• CAS Number: 80789-79-3
• PubChem SID: 162093480
• PubChem CID: 25022167

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.4883002
• LogD (pH = 7.4): -0.4883
• Log P: -0.4883
• Molar Refractivity: 48.7929 cm^3
• Polarizability: 15.458659 Å^3
• Polar Surface Area: 146.59 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 300°C

DETAILS

MP Biomedicals - 05203025

MP Biomedicals Rare Chemical collection