Cas no 101670-69-3 (3-Isoxazolecarboxylicacid, 5-methyl-, 2-butylhydrazide)

3-Isoxazolecarboxylicacid, 5-methyl-, 2-butylhydrazide structure
101670-69-3 structure
Product Name:3-Isoxazolecarboxylicacid, 5-methyl-, 2-butylhydrazide
CAS No:101670-69-3
MF:C9H15N3O2
MW:197.234301805496
CID:199651
PubChem ID:58714
Update Time:2025-04-19

3-Isoxazolecarboxylicacid, 5-methyl-, 2-butylhydrazide Chemical and Physical Properties

Names and Identifiers

    • 3-Isoxazolecarboxylicacid, 5-methyl-, 2-butylhydrazide
    • N'-butyl-5-methyl-1,2-oxazole-3-carbohydrazide
    • 1-Butyl-2-< 5-Methyl-3-isoxazolylcarbonyl> -hydrazin
    • 1-n-Butyl-2-(5-methyl-3-isoxazolylcarbonyl)hydrazine
    • 5-Methyl-3-isoxazolecarboxylic acid 2-butylhydrazide
    • 5-methyl-isoxazole-3-carboxylic acid N'-butyl-hydrazide
    • AC1L1PLS
    • BRN 0780041
    • LS-86611
    • 3-ISOXAZOLECARBOXYLIC ACID, 5-METHYL-, 2-BUTYLHYDRAZIDE
    • 101670-69-3
    • DTXSID80144113
    • Inchi: 1S/C9H15N3O2/c1-3-4-5-10-11-9(13)8-6-7(2)14-12-8/h6,10H,3-5H2,1-2H3,(H,11,13)
    • InChI Key: XUZKNMCMPDHWIY-UHFFFAOYSA-N
    • SMILES: O1C(C)=CC(C(NNCCCC)=O)=N1

Computed Properties

  • Exact Mass: 197.11655
  • Monoisotopic Mass: 197.116
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 187
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.2
  • Topological Polar Surface Area: 67.2A^2

Experimental Properties

  • Density: 1.093
  • Boiling Point: 308.9°Cat760mmHg
  • Flash Point: 140.6°C
  • Refractive Index: 1.494
  • PSA: 67.16
  • LogP: 1.79930
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