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Substance Name: Malonic acid, (2-aminoethyl)(3,4-methylenedioxyphenyl)-, diethyl ester, hydrochloride
RN: 67465-33-2
InChIKey: JBDUAFBJQGYHFE-UHFFFAOYSA-N

Molecular Formula

  • C16-H21-N-O6.Cl-H

Molecular Weight

  • 359.804
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 67465-33-2

System Generated Number

  • 0067465332

Molecular Formulas

Molecular Formula

  • C16-H21-N-O6.Cl-H

Molecular Formula Fragments

  • C16-H21-N-O6
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H21NO6.ClH/c1-3-20-14(18)16(7-8-17,15(19)21-4-2)11-5-6-12-13(9-11)23-10-22-12;/h5-6,9H,3-4,7-8,10,17H2,1-2H3;1H

InChIKey

JBDUAFBJQGYHFE-UHFFFAOYSA-N

Smiles

C(c1cc2c(OCO2)cc1)(C(OCC)=O)(C(OCC)=O)CC[NH3+].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 270mg/kg (270mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 539, 1963.