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Substance Name: Isopropyl cyanoacetate
RN: 13361-30-3
UNII: 0V3MGI9XMA
InChIKey: BESQLCCRQYTQQI-UHFFFAOYSA-N

Molecular Formula

  • C6-H9-N-O2

Molecular Weight

  • 127.142
 
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Names and Synonyms

Name of Substance

  • Isopropyl cyanoacetate

Synonyms

  • 3-02-00-01632 (Beilstein Handbook Reference)
  • Acetic acid, cyano-, 1-methylethyl ester
  • BRN 1756014
  • EINECS 236-421-3
  • Isopropyl cyanoacetate
  • NSC 1071
  • UNII-0V3MGI9XMA

Systematic Names

  • Acetic acid, cyano-, isopropyl ester
  • Isopropyl cyanoacetate

Registry Numbers

CAS Registry Number

  • 13361-30-3

FDA UNII

  • 0V3MGI9XMA

System Generated Number

  • 0013361303

Structure Descriptors

InChI

1S/C6H9NO2/c1-5(2)9-6(8)3-4-7/h5H,3H2,1-2H3

InChIKey

BESQLCCRQYTQQI-UHFFFAOYSA-N

Smiles

O(C(CC#N)=O)C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 4960mg/kg (4960mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Personal Communication from LONZA Ltd., CH-4002, Basel, SwitzerlandVol. 13FEB1981,
rabbit LD50 oral 2500mg/kg (2500mg/kg)   Personal Communication from LONZA Ltd., CH-4002, Basel, SwitzerlandVol. 13FEB1981,