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Substance Name: 1,3-Propanediamine, N',N'-bis(2-methylphenyl)-N,N,2-trimethyl-, monohydrochloride
RN: 64633-37-0
InChIKey: NETQCBRTYYUHQS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H28-N2.Cl-H

Molecular Weight

  • 332.9161
 
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Names and Synonyms

Synonym

  • N',N'-Bis(2-methylphenyl)-N,N,2-trimethyl-1,3-propanediamine hydrochloride

Systematic Name

  • 1,3-Propanediamine, N',N'-bis(2-methylphenyl)-N,N,2-trimethyl-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 64633-37-0

System Generated Number

  • 0064633370

Molecular Formulas

Molecular Formula

  • C20-H28-N2.Cl-H

Molecular Formula Fragments

  • C20-H28-N2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H28N2.ClH/c1-16(14-21(4)5)15-22(19-12-8-6-10-17(19)2)20-13-9-7-11-18(20)3;/h6-13,16H,14-15H2,1-5H3;1H

InChIKey

NETQCBRTYYUHQS-UHFFFAOYSA-N

Smiles

Cc1ccccc1N(CC(C)CN(C)C)c2ccccc2C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 230mg/kg (230mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 371, 1977.
mouse LDLo oral 500mg/kg (500mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 371, 1977.