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Substance Name: 1,3-Propanediol, 2-methyl-2-((phenylmethyl)amino)-, hydrochloride
RN: 133550-77-3
InChIKey: JDYSVDLHOKDQQL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H17-N-O2.Cl-H

Molecular Weight

  • 231.721
 
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Names and Synonyms

Synonym

  • 2-Methyl-2-((phenylmethyl)amino)-1,3-propanediol hydrochloride

Systematic Name

  • 1,3-Propanediol, 2-methyl-2-((phenylmethyl)amino)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 133550-77-3

System Generated Number

  • 0133550773

Molecular Formulas

Molecular Formula

  • C11-H17-N-O2.Cl-H

Molecular Formula Fragments

  • C11-H17-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C11H17NO2.ClH/c1-11(8-13,9-14)12-7-10-5-3-2-4-6-10;/h2-6,12-14H,7-9H2,1H3;1H

InChIKey

JDYSVDLHOKDQQL-UHFFFAOYSA-N

Smiles

C(C(CO)(NCc1ccccc1)C)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD unreported > 350mg/kg (350mg/kg)   Journal of Medicinal Chemistry. Vol. 34, Pg. 1983, 1991.