Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Malonic acid, (3-amino-2-propyl)phenyl-, diethyl ester, hydrochloride
RN: 67465-36-5
InChIKey: GLQUHBVDOYBHFW-UHFFFAOYSA-N

Molecular Formula

  • C16-H23-N-O4.Cl-H

Molecular Weight

  • 329.822
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • Diethyl (3-amino-2-propyl)(phenyl)malonate hydrochloride

Systematic Name

  • Malonic acid, (3-amino-2-propyl)phenyl-, diethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 67465-36-5

System Generated Number

  • 0067465365

Molecular Formulas

Molecular Formula

  • C16-H23-N-O4.Cl-H

Molecular Formula Fragments

  • C16-H23-N-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H23NO4.ClH/c1-4-20-14(18)16(12(3)11-17,15(19)21-5-2)13-9-7-6-8-10-13;/h6-10,12H,4-5,11,17H2,1-3H3;1H

InChIKey

GLQUHBVDOYBHFW-UHFFFAOYSA-N

Smiles

C(c1ccccc1)(C(OCC)=O)(C(OCC)=O)[C@@H](C[NH3+])C.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 138mg/kg (138mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 539, 1963.