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Substance Name: 1,3-Benzodioxole-5-methanamine, N-(1-methylethyl)-, propanoate (salt)
RN: 72156-40-2
InChIKey: JROQSKFJKHSWDI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H14-N-O2.C3-H6-O2

Molecular Weight

  • 267.3229
 
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Names and Synonyms

Synonyms

  • CRL 40599B
  • N-(1-Methylethyl)-1,3-benzodioxole-5-methanamine propanoate (salt)
  • N-Isopropyl-piperonylamine propionate
  • N-Isopropyl-piperonylamine propionate [French]
  • Propanoic acid, compd. with N-(1-methylethyl)-1,3-benzodioxol-5-methanamine (1:1)

Systematic Name

  • 1,3-Benzodioxole-5-methanamine, N-(1-methylethyl)-, propanoate (salt)

Registry Numbers

CAS Registry Number

  • 72156-40-2

System Generated Number

  • 0072156402

Molecular Formulas

Molecular Formula

  • C11-H14-N-O2.C3-H6-O2

Molecular Formula Fragments

  • C11-H14-N-O2
  • C3-H6-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C11H15NO2.C3H6O2/c1-8(2)12-6-9-3-4-10-11(5-9)14-7-13-10;1-2-3(4)5/h3-5,8,12H,6-7H2,1-2H3;2H2,1H3,(H,4,5)

InChIKey

JROQSKFJKHSWDI-UHFFFAOYSA-N

Smiles

CCC(=O)O.CC(C)NCc1ccc2c(c1)OCO2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 235mg/kg (235mg/kg)   European Patent Application. Vol. #0002638,