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Substance Name: 1,3-Propanediol, 2-methyl-2-(1-methylbutyl)-
RN: 25462-49-1
InChIKey: QGBQYMQTQNOOHP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H20-O2

Molecular Weight

  • 160.255
 
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Names and Synonyms

Synonyms

  • 2-Methyl-2-(1-methylbutyl)-1,3-propanediol
  • BRN 1847811

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 25462-49-1

System Generated Number

  • 0025462491

Structure Descriptors

InChI

1S/C9H20O2/c1-4-5-8(2)9(3,6-10)7-11/h8,10-11H,4-7H2,1-3H3

InChIKey

QGBQYMQTQNOOHP-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 390mg/kg (390mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.