Cas no 103404-81-5 (3-INDOXYL PHOSPHATE, DI-P-TOLUIDINIUM SALT)

3-INDOXYL PHOSPHATE, DI-P-TOLUIDINIUM SALT structure
103404-81-5 structure
Product Name:3-INDOXYL PHOSPHATE, DI-P-TOLUIDINIUM SALT
CAS No:103404-81-5
MF:C22H26N3O4P
MW:427.433306217194
CID:201796
PubChem ID:44152355
Update Time:2025-09-25

3-INDOXYL PHOSPHATE, DI-P-TOLUIDINIUM SALT Chemical and Physical Properties

Names and Identifiers

    • 3-INDOXYL PHOSPHATE, DI-P-TOLUIDINIUM SALT
    • 3-INDOXYLPHOSPHATE P-TOLUIDINE SALT
    • INDOXYL PHOSPHATE DI-P-TOLUIDINE SALT
    • 1h-indol-3-ol,dihydrogenphosphate(ester),compd.with4-methylbenzenamine(1
    • 1H-Indol-3-ol, dihydrogen phosphate (ester), compd. with 4-methylbenzenamine (1:2)
    • :2)
    • 103404-81-5
    • FT-0615881
    • SCHEMBL7800278
    • DTXSID30908363
    • 1H-Indol-3-yl dihydrogen phosphate--4-methylaniline (1/2)
    • 3-Indoxyl phosphate,di-P-toluidinium salt
    • p-toluidine hemi(1H-indol-3-yl phosphate)
    • 1H-indol-3-yl dihydrogen phosphate;4-methylaniline
    • Inchi: 1S/C8H8NO4P.2C7H9N/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8;2*1-6-2-4-7(8)5-3-6/h1-5,9H,(H2,10,11,12);2*2-5H,8H2,1H3
    • InChI Key: XHZKVTVWYFYQQD-UHFFFAOYSA-N
    • SMILES: P(=O)(O)(O)OC1=CNC2C=CC=CC=21.NC1C=CC(C)=CC=1.NC1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 427.16600
  • Monoisotopic Mass: 427.166
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 2
  • Complexity: 317
  • 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: 135A^2

Experimental Properties

  • Color/Form: Lavender powder
  • Melting Point: 143-145°C
  • PSA: 144.40000
  • LogP: 5.95620

3-INDOXYL PHOSPHATE, DI-P-TOLUIDINIUM SALT Security Information

3-INDOXYL PHOSPHATE, DI-P-TOLUIDINIUM SALT Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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3-Indoxyl Phosphate, Di-p-Toluidinium Salt
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500mg
$ 161.00 2023-04-15
TRC
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3-Indoxyl Phosphate, Di-p-Toluidinium Salt
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$ 1275.00 2023-04-15
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