ethane-1,2-diamine; sulfuric acid

• ChemBase ID: 109396
• Molecular Formular: C2H10N2O4S
• Molecular Mass: 158.1768
• Monoisotopic Mass: 158.03612781
• SMILES: NCCN.OS(=O)(=O)O
• Canonical SMILES: OS(=O)(=O)O.NCCN
• InChI: InChI=1S/C2H8N2.H2O4S/c3-1-2-4;1-5(2,3)4/h1-4H2;(H2,1,2,3,4)
• InChIKey: BNZCDZDLTIHJAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethane-1,2-diamine; sulfuric acid
• IUPAC Traditional name: ethylenediamine; sulfuric acid
• Synonyms: ETHYLENEDIAMINE SULFATE

Database IDs

• CAS Number: 25723-52-8
• EC Number: 247-209-5
• PubChem SID: 162095259
• PubChem CID: 168015

CALCULATED PROPERTIES

• Acid pKa: -3.034349
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -5.569452
• LogD (pH = 7.4): -5.594027
• Log P: -0.841552
• Molar Refractivity: 13.7708 cm^3
• Polarizability: 6.279968 Å^3
• Polar Surface Area: 74.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: KV5425000