Cas no 12216-86-3 (C.I. Azoic DiazoComponent 121 (8CI,9CI))

C.I. Azoic DiazoComponent 121 (8CI,9CI) structure
12216-86-3 structure
Product Name:C.I. Azoic DiazoComponent 121 (8CI,9CI)
CAS No:12216-86-3
MF:C71H125N3O11S
MW:1228.83072161675
CID:168325
PubChem ID:168010188
Update Time:2025-04-19

C.I. Azoic DiazoComponent 121 (8CI,9CI) Chemical and Physical Properties

Names and Identifiers

    • C.I. Azoic DiazoComponent 121 (8CI,9CI)
    • Fast red KL base
    • C.I. Azoic Diazo Component 121
    • Dycosbase Red KL Base
    • Fast Red KL
    • Fast Red KL Base Special
    • Fast Red Salt KL
    • CID 167695898
    • 12216-86-3
    • 8013-86-3
    • Inchi： 1S/C26H46N2O5.C24H43NO3.C21H36O3S/c1-25(2,3)18-20(23(30)26(4,5)6)14-12-13-17-27-22(29)19-32-28-24(31)33-21-15-10-8-7-9-11-16-21;1-23(2,3)18-19(21(26)24(4,5)6)14-12-13-17-25-22(27)28-20-15-10-8-7-9-11-16-20;1-20(2,3)14-16(18(22)21(4,5)6)15-25-19(23)24-17-12-10-8-7-9-11-13-17/h10,15,20-21H,7-9,11-14,16-19H2,1-6H3,(H,27,29)(H,28,31);10,15,19-20H,7-9,11-14,16-18H2,1-6H3,(H,25,27);10,12,16-17H,7-9,11,13-15H2,1-6H3
    • InChI Key： XQPBJDKMKWOESI-UHFFFAOYSA-N
    • SMILES： S(C(=O)OC1C=CCCCCC1)CC(C(C(C)(C)C)=O)CC(C)(C)C.O=C(C(C)(C)C)C(CCCCNC(=O)OC1C=CCCCCC1)CC(C)(C)C.O=C(C(C)(C)C)C(CCCCNC(CONC(=O)OC1C=CCCCCC1)=O)CC(C)(C)C

Computed Properties

  • Exact Mass: 259.18975
  • Monoisotopic Mass: 1227.90348299g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 86
  • Rotatable Bond Count: 34
  • Complexity: 1630
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 6
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 3
  • Topological Polar Surface Area: 218?2

Experimental Properties

  • PSA: 118.44

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