Cas no 173994-77-9 (4-METHYLBENZYL 4,5-DIAMINO PYRAZOLE SULFATE)

4-METHYLBENZYL 4,5-DIAMINO PYRAZOLE SULFATE structure
173994-77-9 structure
Product Name:4-METHYLBENZYL 4,5-DIAMINO PYRAZOLE SULFATE
CAS No:173994-77-9
MF:C11H16N4O4S
MW:300.334140777588
CID:906004
PubChem ID:22715265
Update Time:2025-04-19

4-METHYLBENZYL 4,5-DIAMINO PYRAZOLE SULFATE Chemical and Physical Properties

Names and Identifiers

    • 4-METHYLBENZYL 4,5-DIAMINO PYRAZOLE SULFATE
    • 2-[(4-methylphenyl)methyl]pyrazole-3,4-diamine;sulfuric acid
    • UNII-T60KLL74PP
    • Q27289709
    • T60KLL74PP
    • SCHEMBL2912572
    • 1H-Pyrazole-4,5-diamine, 1-((4-methylphenyl)methyl)-, sulfate (2:1)
    • 4-Methylbenzyl 4,5-diamino pyrazole sulfate [INCI]
    • 173994-77-9
    • Inchi: 1S/C11H14N4.H2O4S/c1-8-2-4-9(5-3-8)7-15-11(13)10(12)6-14-15;1-5(2,3)4/h2-6H,7,12-13H2,1H3;(H2,1,2,3,4)
    • InChI Key: DKOOQFYYTJIURT-UHFFFAOYSA-N
    • SMILES: S(=O)(=O)(O)O.N1(C(=C(C=N1)N)N)CC1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 300.08938
  • Monoisotopic Mass: 300.08922618g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 2
  • Complexity: 282
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 153?2

Experimental Properties

  • PSA: 155.32
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