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Substance Name: Malonic acid, (2-aminoethyl)(3,4-xylyl)-, diethyl ester, hydrochloride
RN: 67465-35-4
InChIKey: ROLAMTQOOCIDSJ-UHFFFAOYSA-N

Molecular Formula

  • C17-H25-N-O4.Cl-H

Molecular Weight

  • 343.848
 
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Names and Synonyms

Synonym

  • Diethyl 2-aminoethyl-(3,4-xylyl)malonate hydrochloride

Systematic Name

  • Malonic acid, (2-aminoethyl)(3,4-xylyl)-, diethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 67465-35-4

System Generated Number

  • 0067465354

Molecular Formulas

Molecular Formula

  • C17-H25-N-O4.Cl-H

Molecular Formula Fragments

  • C17-H25-N-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H25NO4.ClH/c1-5-21-15(19)17(9-10-18,16(20)22-6-2)14-8-7-12(3)13(4)11-14;/h7-8,11H,5-6,9-10,18H2,1-4H3;1H

InChIKey

ROLAMTQOOCIDSJ-UHFFFAOYSA-N

Smiles

C(c1cc(c(C)cc1)C)(C(OCC)=O)(C(OCC)=O)CC[NH3+].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 130mg/kg (130mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 539, 1963.