λ2-iron(2+) ion ethane-1,2-bis(aminium) tetrahydrate disulfate

• ChemBase ID: 303136
• Molecular Formular: C2H18FeN2O12S2
• Molecular Mass: 382.14552
• Monoisotopic Mass: 381.96505353
• SMILES: C(C[NH3+])[NH3+].O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Fe+2]
• Canonical SMILES: [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[NH3+]CC[NH3+].O.O.O.O.[Fe+2]
• InChI: InChI=1S/C2H8N2.Fe.2H2O4S.4H2O/c3-1-2-4;;2*1-5(2,3)4;;;;/h1-4H2;;2*(H2,1,2,3,4);4*1H2/q;+2;;;;;;/p-2
• InChIKey: GAGUCKQNZZFVCU-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^2-iron(2+) ion ethane-1,2-bis(aminium) tetrahydrate disulfate
• IUPAC Traditional name: λ^2-iron(2+) ion ethane-1,2-bis(aminium) tetrahydrate disulfate
• Synonyms: Iron(II) ethylenediammonium sulfate tetrahydrate; 硫酸乙二铵亚铁(II)盐四水化合物

Database IDs

• CAS Number: 34962-29-3
• EC Number: 264-357-6
• MDL Number: MFCD00082474

CALCULATED PROPERTIES

• Acid pKa: -3.034349
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -5.569452
• LogD (pH = 7.4): -5.594027
• Log P: -0.841552
• Molar Refractivity: 11.5274 cm^3
• Polarizability: 6.037845 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline

Safety Information

• TSCA Listed: 是

Product Information

• Purity: 99%