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Substance Name: 1-Piperazinepropionic acid, 4-(2-hyroxyethyl)-alpha,2-dimethyl-, 2,2,2-trifluroethyl ester
RN: 102517-14-6
InChIKey: ZTXVHGWIXYXYSR-UHFFFAOYSA-N

Molecular Formula

  • C13-H23-F3-N2-O3

Molecular Weight

  • 312.3297
 
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Names and Synonyms

Synonym

  • 4-(2-Hydroxyethyl)-alpha,2-dimethyl-1-piperazinepropionic acid 2,2,2-trifluoroethyl ester

Systematic Name

  • 1-Piperazinepropionic acid, 4-(2-hyroxyethyl)-alpha,2-dimethyl-, 2,2,2-trifluroethyl ester

Registry Numbers

CAS Registry Number

  • 102517-14-6

System Generated Number

  • 0102517146

Structure Descriptors

InChI

1S/C13H23F3N2O3/c1-10(12(20)21-9-13(14,15)16)7-18-4-3-17(5-6-19)8-11(18)2/h10-11,19H,3-9H2,1-2H3

InChIKey

ZTXVHGWIXYXYSR-UHFFFAOYSA-N

Smiles

CC1CN(CCN1CC(C)C(=O)OCC(F)(F)F)CCO

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#08228,