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Substance Name: Piperidine, 4,4-bis(trifluoromethyl)-, hydrate
RN: 63867-63-0
InChIKey: PFUAHBQDDRSAJC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H9-F6-N.H2-O

Molecular Weight

  • 239.158
 
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Names and Synonyms

Synonym

  • 2,2-Bis(trifluoromethyl)piperidine hydrate

Systematic Name

  • Piperidine, 4,4-bis(trifluoromethyl)-, hydrate

Registry Numbers

CAS Registry Number

  • 63867-63-0

System Generated Number

  • 0063867630

Molecular Formulas

Molecular Formula

  • C7-H9-F6-N.H2-O

Molecular Formula Fragments

  • C7-H9-F6-N
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C7H9F6N.H2O/c8-6(9,10)5(7(11,12)13)1-3-14-4-2-5;/h14H,1-4H2;1H2

InChIKey

PFUAHBQDDRSAJC-UHFFFAOYSA-N

Smiles

C1(C(F)(F)F)(C(F)(F)F)CCNCC1.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 290mg/kg (290mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1215, 1970.
mouse LD50 oral 300mg/kg (300mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1215, 1970.