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Substance Name: 1,3-Propanediol, 2-butyl-2-methyl-, isopropylaminocarbamate
RN: 25649-04-1
InChIKey: WUAAJHKTLJWUPX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H26-N2-O3

Molecular Weight

  • 246.348
 
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Names and Synonyms

Synonyms

  • 2-Butyl-2-methyl-1,3-propanediol isopropylaminocarbamate
  • BRN 3050339

Systematic Name

  • 1,3-Propanediol, 2-butyl-2-methyl-, isopropylaminocarbamate

Registry Numbers

CAS Registry Number

  • 25649-04-1

System Generated Number

  • 0025649041

Structure Descriptors

InChI

1S/C12H26N2O3/c1-5-6-7-12(4,8-15)9-17-11(16)14-13-10(2)3/h10,13,15H,5-9H2,1-4H3,(H,14,16)

InChIKey

WUAAJHKTLJWUPX-UHFFFAOYSA-N

Smiles

C(NNC(C)C)(=O)OC[C@@](CO)(CCCC)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 680mg/kg (680mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.