Cas no 67027-35-4 ([1,1'-Biphenyl]-2,2'-disulfonicacid, 4,4'-diamino-5,5'-dimethyl-, sodium salt (1:2))

[1,1'-Biphenyl]-2,2'-disulfonicacid, 4,4'-diamino-5,5'-dimethyl-, sodium salt (1:2) structure
67027-35-4 structure
Product Name:[1,1'-Biphenyl]-2,2'-disulfonicacid, 4,4'-diamino-5,5'-dimethyl-, sodium salt (1:2)
CAS No:67027-35-4
MF:C14H14N2Na2O6S2
MW:416.380302906036
CID:526523
PubChem ID:87168305
Update Time:2025-04-19

[1,1'-Biphenyl]-2,2'-disulfonicacid, 4,4'-diamino-5,5'-dimethyl-, sodium salt (1:2) Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-2,2'-disulfonicacid, 4,4'-diamino-5,5'-dimethyl-, sodium salt (1:2)
    • [1,1'-Biphenyl]-2,2'-disulfonicacid, 4,4'-diamino-5,5'-dimethyl-, disodium salt (9CI)
    • 4,4'-DIAMINO-5,5'-DIMETHYL-2,2'-BIPHENYL DISULFONIC ACID DISODIUM SALT
    • sodium,5-amino-2-(4-amino-5-methyl-2-sulfophenyl)-4-methylbenzenesulfonic acid
    • FT-0748836
    • sodium 4,4'-diamino-5,5'-dimethylbiphenyl-2,2'-disulfonate
    • SCHEMBL864223
    • 67027-35-4
    • Inchi: 1S/C14H16N2O6S2.2Na/c1-7-3-9(13(5-11(7)15)23(17,18)19)10-4-8(2)12(16)6-14(10)24(20,21)22;;/h3-6H,15-16H2,1-2H3,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2
    • InChI Key: IAKRAHPBIZCUCZ-UHFFFAOYSA-L
    • SMILES: S(C1C=C(C(C)=CC=1C1C=C(C)C(=CC=1S(=O)(=O)[O-])N)N)(=O)(=O)[O-].[Na+].[Na+]

Computed Properties

  • Exact Mass: 416.00886708g/mol
  • Monoisotopic Mass: 416.00886708g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 1
  • Complexity: 569
  • 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: 183?2

[1,1'-Biphenyl]-2,2'-disulfonicacid, 4,4'-diamino-5,5'-dimethyl-, sodium salt (1:2) Related Literature

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