hexachloroirontriuide tetrakis(methanaminium) chloride

• ChemBase ID: 129801
• Molecular Formular: C4H24Cl7FeN4
• Molecular Mass: 432.27616
• Monoisotopic Mass: 428.91700305
• SMILES: C[NH3+].C[NH3+].C[NH3+].C[NH3+].[Cl-].Cl[Fe-3](Cl)(Cl)(Cl)(Cl)Cl
• Canonical SMILES: Cl[Fe-3](Cl)(Cl)(Cl)(Cl)Cl.[NH3+]C.[NH3+]C.[NH3+]C.[NH3+]C.[Cl-]
• InChI: InChI=1S/4CH5N.7ClH.Fe/c4*1-2;;;;;;;;/h4*2H2,1H3;7*1H;/q;;;;;;;;;;;+3/p-3
• InChIKey: WWEONMZLNZBJCO-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: hexachloroirontriuide tetrakis(methanaminium) chloride
• IUPAC Traditional name: hexachloroirontriuide tetrakis(methylammonium) chloride
• Synonyms: Tetrakis (methylammonium) hexachloroferrate (III) chloride

Database IDs

• CAS Number: 21995-64-2
• PubChem SID: 162224089
• PubChem CID: 71308279
• Wikipedia Title: Tetrakis_(methylammonium)_hexachloroferrate_(III)_chloride

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.207
• LogD (pH = 7.4): 4.207
• Log P: 4.207
• Molar Refractivity: 36.8178 cm^3
• Polarizability: 16.99907 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: orange crystals
• Melting Point: 155°C