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Substance Name: Benzyl alcohol, alpha-(tert-butylaminomethyl)-3-fluoro-, hydrobromide
RN: 582-40-1
InChIKey: OXZRPXMOSXXAFN-UHFFFAOYSA-N

Molecular Formula

  • C12-H18-F-N-O.Br-H

Molecular Weight

  • 292.19
 
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Names and Synonyms

Synonyms

  • 2-tert-Butylamino-1-(3-fluorophenyl)ethanol hydrobromide
  • alpha-(tert-Butylaminomethyl)-3-fluorobenzyl alcohol hydrobromide
  • Ethanol, 2-tert-butylamino-1-(3-fluorophenyl)-, hydrobromide

Systematic Name

  • Benzyl alcohol, alpha-(tert-butylaminomethyl)-3-fluoro-, hydrobromide

Registry Numbers

CAS Registry Number

  • 582-40-1

System Generated Number

  • 0000582401

Molecular Formulas

Molecular Formula

  • C12-H18-F-N-O.Br-H

Molecular Formula Fragments

  • Br-H
  • C12-H18-F-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C12H18FNO.BrH/c1-12(2,3)14-8-11(15)9-5-4-6-10(13)7-9;/h4-7,11,14-15H,8H2,1-3H3;1H

InChIKey

OXZRPXMOSXXAFN-UHFFFAOYSA-N

Smiles

c1([C@@H](CNC(C)(C)C)O)cc(ccc1)F.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 65mg/kg (65mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 106, Pg. 440, 1952.