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Substance Name: Cyclobutaneacetic acid, 3-acetyl-2,2-dimethyl-, azine
RN: 5422-97-9
InChIKey: XVYLZBKIPPCLTR-XHQRYOPUSA-N

Molecular Formula

  • C20-H32-N2-O4

Molecular Weight

  • 364.483
 
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Names and Synonyms

Synonyms

  • 3-Acetyl-2,2-dimethylcyclobutaneacetic acid azine
  • Pinolic acid, azine

Systematic Name

  • Cyclobutaneacetic acid, 3-acetyl-2,2-dimethyl-, azine

Registry Numbers

CAS Registry Number

  • 5422-97-9

System Generated Number

  • 0005422979

Structure Descriptors

InChI

1S/C20H32N2O4/c1-11(15-7-13(9-17(23)24)19(15,3)4)21-22-12(2)16-8-14(10-18(25)26)20(16,5)6/h13-16H,7-10H2,1-6H3,(H,23,24)(H,25,26)/b21-11+,22-12+

InChIKey

XVYLZBKIPPCLTR-XHQRYOPUSA-N

Smiles

C1([C@@H](C[C@@H]1CC(O)=O)\C(=N\N=C(\[C@@H]1C([C@@H](CC(O)=O)C1)(C)C)C)C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03882,