Cas no 16993-94-5 ([1,1'-Biphenyl]-3,3'-dicarboxylicacid, 4,4'-diamino-, sodium salt (1:2))

[1,1'-Biphenyl]-3,3'-dicarboxylicacid, 4,4'-diamino-, sodium salt (1:2) structure
16993-94-5 structure
Product Name:[1,1'-Biphenyl]-3,3'-dicarboxylicacid, 4,4'-diamino-, sodium salt (1:2)
CAS No:16993-94-5
MF:C14H10N2Na2O4
MW:316.219745159149
CID:183039
PubChem ID:28183
Update Time:2025-04-19

[1,1'-Biphenyl]-3,3'-dicarboxylicacid, 4,4'-diamino-, sodium salt (1:2) Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-3,3'-dicarboxylicacid, 4,4'-diamino-, sodium salt (1:2)
    • disodium,2-amino-5-(4-amino-3-carboxylatophenyl)benzoate
    • 3,3'-Benzidine dicarboxylic acid, disodium salt
    • 3,3'-BIPHENYLDICARBOXYLIC ACID, 4,4'-DIAMINO-, DISODIUM SALT
    • Disodium 3,3'-benzidinedicarboxylate
    • DTXSID40168774
    • 16993-94-5
    • Inchi: 1S/C14H12N2O4.2Na/c15-11-3-1-7(5-9(11)13(17)18)8-2-4-12(16)10(6-8)14(19)20;;/h1-6H,15-16H2,(H,17,18)(H,19,20);;/q;2*+1/p-2
    • InChI Key: GINXMGNGFOBMFC-UHFFFAOYSA-L
    • SMILES: [Na+].[Na+].[O-]C(C1=C(C=CC(=C1)C1C=CC(=C(C(=O)[O-])C=1)N)N)=O

Computed Properties

  • Exact Mass: 316.0437
  • Monoisotopic Mass: 316.04359537g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 1
  • Complexity: 340
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 132?2

Experimental Properties

  • PSA: 132.3
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