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Substance Name: Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, allyl ester
RN: 59097-05-1
InChIKey: WIJFGCTZPDNGPD-UHFFFAOYSA-N

Molecular Formula

  • C10-H15-N-O2

Molecular Weight

  • 181.234
 
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Names and Synonyms

Synonyms

  • 5-22-01-00323 (Beilstein Handbook Reference)
  • Allyl 1-methyl-1,2,5,6-tetrahydronicotinate
  • BRN 0473855

Systematic Name

  • Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, allyl ester

Registry Numbers

CAS Registry Number

  • 59097-05-1

System Generated Number

  • 0059097051

Structure Descriptors

InChI

1S/C10H15NO2/c1-3-7-13-10(12)9-5-4-6-11(2)8-9/h3,5H,1,4,6-8H2,2H3

InChIKey

WIJFGCTZPDNGPD-UHFFFAOYSA-N

Smiles

C=1(C[N@@](CCC1)C)C(OCC=C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 45mg/kg (45mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12590,