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Substance Name: 1-Hexyn-3-ol, 3-methyl-
RN: 4339-05-3
InChIKey: DTGUZRPEDLHAAO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H12-O

Molecular Weight

  • 112.171
 
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Names and Synonyms

Synonyms

  • 3-Methyl-1-hexyn-3-ol
  • 3-Methyl-hexin-(1)-ol-(3)
  • 3-Methyl-hexin-(1)-ol-(3) [German]
  • 4-01-00-02252 (Beilstein Handbook Reference)
  • BRN 1740424
  • Ethynylmethylpropylcarbinol
  • NSC 9470

Systematic Name

  • 1-Hexyn-3-ol, 3-methyl-

Registry Numbers

CAS Registry Number

  • 4339-05-3

System Generated Number

  • 0004339053

Structure Descriptors

InChI

1S/C7H12O/c1-4-6-7(3,8)5-2/h2,8H,4,6H2,1,3H3

InChIKey

DTGUZRPEDLHAAO-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 530mg/kg (530mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 5, Pg. 161, 1955.