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Substance Name: 1,3-Propanediol, 2-(1-methylbutyl)-
RN: 22131-29-9
InChIKey: DIAKBGLNNAQLNA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H18-O2

Molecular Weight

  • 146.228
 
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Names and Synonyms

Synonyms

  • 2-(1-Methylbutyl)-1,3-propanediol
  • BRN 1847384

Systematic Name

  • 1,3-Propanediol, 2-(1-methylbutyl)-

Registry Numbers

CAS Registry Number

  • 22131-29-9

System Generated Number

  • 0022131299

Structure Descriptors

InChI

1S/C8H18O2/c1-3-4-7(2)8(5-9)6-10/h7-10H,3-6H2,1-2H3

InChIKey

DIAKBGLNNAQLNA-UHFFFAOYSA-N

Smiles

C([C@@H](CCC)C)(CO)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 570mg/kg (570mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.