Products 1400691-55-5

CAS 1400691-55-5 appears in our catalog under these names: 1,1,1,3,3,3-Hexafluoropropane-2,2-diol-1,8-diazo-bicyclo[5.4.0]undec-7-ene salt, 98%, 1,1,1,3,3,3-Hexafluoro-2,2-propanediol 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine, 98%. Offered by: Ambeed, Chemat, BLDpharm. Available pack sizes: 1g, 5g, 25g.

1,1,1,3,3,3-Hexafluoropropane-2,2-diol-1,8-diazo-bicyclo[5.4.0]undec-7-ene salt, 98%
Ambeed, BLDpharm
  • size: 1g, 5g, 25g
  • Variants: 6
from 347.68
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1,1,1,3,3,3-Hexafluoro-2,2-propanediol 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine, 98%
Chemat
  • size: 1g, 5g, 25g
  • Variants: 3
from 318.80
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Structural formula: {0} (CAS {1})

1,1,1,3,3,3-hexafluoropropane-2,2-diol;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine (CAS 1400691-55-5) is a chemical compound with the molecular formula C12H18F6N2O2 and a molecular weight of 336.27 g/mol. IUPAC name: 1,1,1,3,3,3-hexafluoropropane-2,2-diol;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine. InChIKey: SDDNJUPNEBDOET-UHFFFAOYSA-N.

Identity
Molecular formulaC12H18F6N2O2
Molecular weight336.27 g/mol
IUPAC name1,1,1,3,3,3-hexafluoropropane-2,2-diol;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
InChIKeySDDNJUPNEBDOET-UHFFFAOYSA-N
SMILESC1CCC2=NCCCN2CC1.C(C(F)(F)F)(C(F)(F)F)(O)O

Computed by PubChem (NCBI)

Synonyms: 1,1,1,3,3,3-Hexafluoropropane-2,2-diol-1,8-diazo-bicyclo[5.4.0]undec-7-ene salt, 1,1,1,3,3,3-Hexafluoropropane-2,2-diol-1,8-diazo-bicyclo[5.4.0]undec-7-enesalt, Hexafluoroacetone hydrate-1,8-diazo-bicyclo[5.4.0]undec-7-ene salt, Hexafluoroacetone hydrate-1,8-diazo-bicyclo[5.4.0]undec-7-ene salt AldrichCPR
Isomers (same molecular formula)
tert-butyl 2-[[bis(trifluoromethyl)amino]methyl]pyrrolidine-1-carboxylate C12H18F6N2O2