DL-Metanephrine, N,O,O'-tris(heptafluorobutyryl)- structure

DL-Metanephrine, N,O,O'-tris(heptafluorobutyryl)-

[4-[2-[2,2,3,3,4,4,4-heptafluorobutanoyl(methyl)amino]-1-(2,2,3,3,4,4,4-heptafluorobutanoyloxy)ethyl]-2-methoxyphenyl] 2,2,3,3,4,4,4-heptafluorobutanoate

Also Known As: DL-Metanephrine, N,O,O'-tris(heptafluorobutyryl)-|Heptafluorobutyric acid 4-[2-[N-(heptafluorobutyryl)-N-methylamino]-1-[(heptafluorobutyryl)oxy]ethyl]-2-methoxyphenyl ester|[4-[2-[(Perfluorobutanoyl)(methyl)amino]-1-(perfluorobutanoyloxy)ethyl]-2-methoxyphenyl] perfluorobutanoate|[4-[2-[2,2,3,3,4,4,4-heptafluorobutanoyl(methyl)amino]-1-(2,2,3,3,4,4,4-heptafluorobutanoyloxy)ethyl]-2-methoxyphenyl] 2,2,3,3,4,4,4-heptafluorobutanoate|2-(2,2,3,3,4,4,4-heptafluoro-N-methylbutanamido)-1-{4-[(2,2,3,3,4,4,4-heptafluorobutanoyl)oxy]-3-methoxyphenyl}ethyl 2,2,3,3,4,4,4-heptafluorobutanoate|Butanoic acid, heptafluoro-, 4-[1-(2,2,3,3,4,4,4-heptafluoro-1-oxobutoxy)-2-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)methylamino]ethyl]-2-methoxyphenyl ester

CAS: 55255-99-7
Molecular Formula C22H12F21NO6
Molecular Weight 785.03296 g/mol
LogP 8.2
Topological Polar Surface Area 82.1 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 27
Rotatable Bonds 14
Exact Mass 785.03296
Monoisotopic Mass 785.03296
Heavy Atoms 50
Complexity 1240.0

Chemical Identifiers

CAS Number 55255-99-7
SMILES CN(CC(C1=CC(=C(C=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C(=O)C(C(C(F)(F)F)(F)F)(F)F
InChIKey DQVQZQMDDNPFGN-UHFFFAOYSA-N

Product Overview

DL-Metanephrine, N,O,O'-tris(heptafluorobutyryl)- (CAS 55255-99-7), with molecular formula C22H12F21NO6 and molecular weight 785.03296 g/mol. IUPAC: [4-[2-[2,2,3,3,4,4,4-heptafluorobutanoyl(methyl)amino]-1-(2,2,3,3,4,4,4-heptafluorobutanoyloxy)ethyl]-2-methoxyphenyl] 2,2,3,3,4,4,4-heptafluorobutanoate.

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DL-Metanephrine, N,O,O'-tris(heptafluorobutyryl)- is a custom synthesis product. We offer services from milligram to kilogram scale.

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