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Substance Name: Isonipecotic acid, 1-methyl-, diphenylmethyl ester
RN: 102395-67-5
InChIKey: GXGDVGOXIUXQPR-UHFFFAOYSA-N

Molecular Formula

  • C20-H23-N-O2

Molecular Weight

  • 309.407
 
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Names and Synonyms

Synonym

  • Diphenylmethyl 1-methylisonipecotate

Systematic Name

  • Isonipecotic acid, 1-methyl-, diphenylmethyl ester

Registry Numbers

CAS Registry Number

  • 102395-67-5

System Generated Number

  • 0102395675

Structure Descriptors

InChI

1S/C20H23NO2/c1-21-14-12-18(13-15-21)20(22)23-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3

InChIKey

GXGDVGOXIUXQPR-UHFFFAOYSA-N

Smiles

C(c1ccccc1)(c1ccccc1)OC(C1CCN(C)CC1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11719,