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Substance Name: 1,3-Propanediol, 2-hexyl-, dicarbamate
RN: 25462-33-3
InChIKey: TWTOBQHCWWWHCI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H22-N2-O4

Molecular Weight

  • 246.305
 
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Names and Synonyms

Synonym

  • 2-Hexyl-1,3-propanediol dicarbamate

Systematic Name

  • 1,3-Propanediol, 2-hexyl-, dicarbamate

Registry Numbers

CAS Registry Number

  • 25462-33-3

System Generated Number

  • 0025462333

Structure Descriptors

InChI

1S/C11H22N2O4/c1-2-3-4-5-6-9(7-16-10(12)14)8-17-11(13)15/h9H,2-8H2,1H3,(H2,12,14)(H2,13,15)

InChIKey

TWTOBQHCWWWHCI-UHFFFAOYSA-N

Smiles

C(=O)(OCC(COC(=O)N)CCCCCC)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3200mg/kg (3200mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.