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Substance Name: 1-Pentyn-3-ol, 1-chloro-3-methyl-
RN: 31857-86-0
InChIKey: QEAYVMNOZPBEII-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H9-Cl-O

Molecular Weight

  • 132.589
 
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Names and Synonyms

Synonyms

  • 1-Chloro-3-methyl-1-pentyn-3-ol
  • 4-01-00-02243 (Beilstein Handbook Reference)
  • AI3-23720
  • BRN 1700501
  • NSC 15978

Systematic Name

  • 1-Pentyn-3-ol, 1-chloro-3-methyl-

Registry Numbers

CAS Registry Number

  • 31857-86-0

System Generated Number

  • 0031857860

Structure Descriptors

InChI

1S/C6H9ClO/c1-3-6(2,8)4-5-7/h8H,3H2,1-2H3

InChIKey

QEAYVMNOZPBEII-UHFFFAOYSA-N

Smiles

C(#CCl)[C@@](O)(CC)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 500mg/kg (500mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 7, Pg. 85, 1957.
mouse LD50 subcutaneous 590mg/kg (590mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 109, Pg. 268, 1953.