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Substance Name: Propionic acid, (hexahydro-2-methyl-1H-azepin-1-yl)-, methyl ester, hydrochloride
RN: 102504-54-1
InChIKey: OEHFUNHMQIROKA-UHFFFAOYSA-N

Molecular Formula

  • C11-H21-N-O2.Cl-H

Molecular Weight

  • 235.7528
 
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Names and Synonyms

Synonyms

  • (Hexahydro-2-methyl-1H-azepin-1-yl)propionic acid methyl ester hydrochloride
  • 1H-Azepine-1-propionic acid, hexahydro-2-methyl-, methyl ester, hydrochloride
  • 2-Methyl-3-hexamethyleneiminopropionic acid methyl ester hydrochloride

Systematic Name

  • Propionic acid, (hexahydro-2-methyl-1H-azepin-1-yl)-, methyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 102504-54-1

System Generated Number

  • 0102504541

Molecular Formulas

Molecular Formula

  • C11-H21-N-O2.Cl-H

Molecular Formula Fragments

  • C11-H21-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C11H21NO2.ClH/c1-10-6-4-3-5-8-12(10)9-7-11(13)14-2;/h10H,3-9H2,1-2H3;1H

InChIKey

OEHFUNHMQIROKA-UHFFFAOYSA-N

Smiles

CC1CCCCCN1CCC(=O)OC.Cl

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#07815,