Cas no 100454-15-7 (3-Isoxazolecarboxylicacid, 5-methyl-, 2-heptylhydrazide)

3-Isoxazolecarboxylicacid, 5-methyl-, 2-heptylhydrazide structure
100454-15-7 structure
Product Name:3-Isoxazolecarboxylicacid, 5-methyl-, 2-heptylhydrazide
CAS No:100454-15-7
MF:C12H21N3O2
MW:239.314042806625
CID:219249
PubChem ID:57869
Update Time:2025-04-19

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

Names and Identifiers

    • 3-Isoxazolecarboxylicacid, 5-methyl-, 2-heptylhydrazide
    • N'-heptyl-5-methyl-1,2-oxazole-3-carbohydrazide
    • DTXSID60143301
    • 3-ISOXAZOLECARBOXYLIC ACID, 5-METHYL-, 2-HEPTYLHYDRAZIDE
    • 100454-15-7
    • 5-Methyl-3-isoxazolecarboxylic acid 2-heptylhydrazide
    • Inchi: 1S/C12H21N3O2/c1-3-4-5-6-7-8-13-14-12(16)11-9-10(2)17-15-11/h9,13H,3-8H2,1-2H3,(H,14,16)
    • InChI Key: VOLLVHDZKFCEQK-UHFFFAOYSA-N
    • SMILES: O1C(C)=CC(C(NNCCCCCCC)=O)=N1

Computed Properties

  • Exact Mass: 239.16353
  • Monoisotopic Mass: 239.163377
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 8
  • Complexity: 224
  • 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: 2.9
  • Topological Polar Surface Area: 67.2

Experimental Properties

  • Density: 1.04
  • Boiling Point: 353.4°C at 760 mmHg
  • Flash Point: 167.5°C
  • Refractive Index: 1.49
  • PSA: 67.16
  • LogP: 2.96960
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