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Substance Name: 2-Butyn-1-ol, 4-(dimethylamino)-, benzoate (ester)
RN: 38697-68-6
InChIKey: RFWSKQOCEPHONN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H15-N-O2

Molecular Weight

  • 217.2665
 
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Names and Synonyms

Synonyms

  • 4-09-00-00567 (Beilstein Handbook Reference)
  • 4-N-Dimethylaminobutyn-2-yl ester of benzoic acid
  • BRN 1962291

Systematic Name

  • 2-Butyn-1-ol, 4-(dimethylamino)-, benzoate (ester)

Registry Numbers

CAS Registry Number

  • 38697-68-6

System Generated Number

  • 0038697686

Structure Descriptors

InChI

1S/C13H15NO2/c1-14(2)10-6-7-11-16-13(15)12-8-4-3-5-9-12/h3-5,8-9H,10-11H2,1-2H3

InChIKey

RFWSKQOCEPHONN-UHFFFAOYSA-N

Smiles

CN(C)CC#CCOC(=O)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD subcutaneous > 1500mg/kg (1500mg/kg)   Pharmaceutical Chemistry Journal Vol. 24, Pg. 560, 1990.