Cas no 25251-42-7 (3-Sulfophenylgamma acid)

3-Sulfophenylgamma acid structure
3-Sulfophenylgamma acid structure
Product Name:3-Sulfophenylgamma acid
CAS No:25251-42-7
MF:C16H13NO7S2
MW:395.406922101974
CID:52684
PubChem ID:91355
Update Time:2025-04-18

3-Sulfophenylgamma acid Chemical and Physical Properties

Names and Identifiers

    • 3-Sulfophenylgamma acid
    • N-3-Sulfophenyl-γ-Acid
    • 4-hydroxy-6-(3-sulfoanilino)naphthalene-2-sulfonic acid
    • N-(M-SULFO PHENYL) GAMMA ACID
    • EINECS 246-758-8
    • 1-Naphthol-3-sulfonicacid, 7-m-sulfoanilino- (6CI)
    • 1-Hydroxy-7-(m-sulfoanilino)naphthalene-3-sulfonicacid
    • 2-N-Phenylamino-8-hydroxynaphthalene-6,3'-disulfonic acid
    • 4-Hydroxy-6-(3-sulfophenylamino)-2-naphthalenesulfonic acid
    • 3-indol-1-ylbutanoic acid
    • FT-0616389
    • DTXSID60179908
    • 2-Naphthalenesulfonicacid, 4-hydroxy-6-[(3-sulfophenyl)amino]-
    • N-(3'-Sulfophenyl)alpha-Acid
    • 4-Hydroxy-6-[(3-sulfophenyl)amino]-2-naphthalenesulfonic acid
    • A817743
    • 4-Hydroxy-6-((3-sulfophenyl)amino)naphthalene-2-sulfonic acid
    • NS00027845
    • 4-hydroxy-6-(3-sulfophenylamino)naphthalene-2-sulfonic acid
    • 25251-42-7
    • 4-Hydroxy-6-(3-sulphoanilino)naphthalene-2-sulphonic acid
    • W-107251
    • SCHEMBL8015044
    • 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid
    • Inchi: 1S/C16H13NO7S2/c18-16-9-14(26(22,23)24)6-10-4-5-12(8-15(10)16)17-11-2-1-3-13(7-11)25(19,20)21/h1-9,17-18H,(H,19,20,21)(H,22,23,24)
    • InChI Key: LSDXXYNYKPLONE-UHFFFAOYSA-N
    • SMILES: S(C1C=C(C2=CC(=CC=C2C=1)NC1C=CC=C(C=1)S(=O)(=O)O)O)(=O)(=O)O

Computed Properties

  • Exact Mass: 203.09500
  • Monoisotopic Mass: 395.013343
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 4
  • Complexity: 697
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.1
  • Topological Polar Surface Area: 158

Experimental Properties

  • Density: 1.692
  • Boiling Point: °Cat760mmHg
  • Flash Point: °Cat760mmHg
  • Refractive Index: 1.747
  • PSA: 42.23000
  • LogP: 2.67700
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