iron(2+) ion ethane-1,2-diamine sulfate

• ChemBase ID: 108570
• Molecular Formular: C2H8FeN2O4S
• Molecular Mass: 212.00592
• Monoisotopic Mass: 211.95541525
• SMILES: [Fe+2].NCCN.[O-]S(=O)(=O)[O-]
• Canonical SMILES: [O-]S(=O)(=O)[O-].NCCN.[Fe+2]
• InChI: InChI=1S/C2H8N2.Fe.H2O4S/c3-1-2-4;;1-5(2,3)4/h1-4H2;;(H2,1,2,3,4)/q;+2;/p-2
• InChIKey: NDZHLXSYTZUMJM-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: iron(2+) ion ethane-1,2-diamine sulfate
• IUPAC Traditional name: iron ion(2+) ethylenediamine sulfate
• Synonyms: FERROUS ETHYLENEDIAMINE SULFATE

Database IDs

• PubChem SID: 162106173
• PubChem CID: 25021683

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

DETAILS

MP Biomedicals - 05207901

MP Biomedicals Rare Chemical collection