Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2-Propanol, 2-(1-adamantylamino)-1,1,1,3,3,3-hexafluoro-, sesquihydrate
RN: 63765-69-5
InChIKey: GZHWMCJYRBYPMP-UHFFFAOYSA-N

Molecular Formula

  • C13-H17-F6-N-O.3/2H2-O

Molecular Weight

  • 688.587
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • 2-(1-Adamantylamino)-1,1,1,3,3,3-hexafluoro-2-propanol sesquihydrate

Systematic Name

  • 2-Propanol, 2-(1-adamantylamino)-1,1,1,3,3,3-hexafluoro-, sesquihydrate

Registry Numbers

CAS Registry Number

  • 63765-69-5

System Generated Number

  • 0063765695

Molecular Formulas

Molecular Formula

  • C13-H17-F6-N-O.3/2H2-O

Molecular Formula Fragments

  • C13-H17-F6-N-O
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C13H17F6NO.3H2O/c2*14-12(15,16)11(21,13(17,18)19)20-10-4-7-1-8(5-10)3-9(2-7)6-10;;;/h2*7-9,20-21H,1-6H2;3*1H2

InChIKey

GZHWMCJYRBYPMP-UHFFFAOYSA-N

Smiles

C1C2CC3CC1CC(C2)(NC(O)(C(F)(F)F)C(F)(F)F)C3.C1C2CC3CC1CC(C3)(C2)NC(C(F)(F)F)(C(F)(F)F)O.O.O.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/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.