1,1,1,3,3,3-Hexafluoro-2,2-propanediol 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine, 98%

cas: 1400691-55-5 — see every product listed under this CAS number, including other names

1,1,1,3,3,3-Hexafluoro-2,2-propanediol 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine, 98% (CAS 1400691-55-5) is a chemical reagent available from Chemat. Available pack sizes: 1g, 5g, 25g. Offered by: Chemat.

• 2D
• 3D

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 formula	C12H18F6N2O2
Molecular weight	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
SMILES	C1CCC2=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