Cas no 66566-49-2 (1,4-Benzenediamine, N-(2-methoxyethyl)-, sulfate (1:1))

1,4-Benzenediamine, N-(2-methoxyethyl)-, sulfate (1:1) structure
66566-49-2 structure
Product Name:1,4-Benzenediamine, N-(2-methoxyethyl)-, sulfate (1:1)
CAS No:66566-49-2
MF:C9H16N2O5S
MW:264.298741340637
CID:396151
PubChem ID:71375043
Update Time:2025-04-19

1,4-Benzenediamine, N-(2-methoxyethyl)-, sulfate (1:1) Chemical and Physical Properties

Names and Identifiers

    • 1,4-Benzenediamine, N-(2-methoxyethyl)-, sulfate (1:1)
    • 4-N-(2-methoxyethyl)benzene-1,4-diamine,sulfuric acid
    • 66566-49-2
    • DTXSID50797796
    • Sulfuric acid--N~1~-(2-methoxyethyl)benzene-1,4-diamine (1/1)
    • Inchi: 1S/C9H14N2O.H2O4S/c1-12-7-6-11-9-4-2-8(10)3-5-9;1-5(2,3)4/h2-5,11H,6-7,10H2,1H3;(H2,1,2,3,4)
    • InChI Key: ICTNREHFNBMLKP-UHFFFAOYSA-N
    • SMILES: S(=O)(=O)(O)O.O(C)CCNC1C=CC(=CC=1)N

Computed Properties

  • Exact Mass: 264.07808
  • Monoisotopic Mass: 264.07799279g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 192
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 130?2

Experimental Properties

  • PSA: 121.88
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