1-Octanaminium, N-methyl-N,N-dioctyl-, salt with1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide (1:1)


Chemical Name: 1-Octanaminium, N-methyl-N,N-dioctyl-, salt with1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide (1:1)
CAS Number: 375395-33-8
Product Number: AG003S4K(AGN-PC-0RE4YT)
Synonyms:
MDL No:
Molecular Formula: C27H54F6N2O4S2
Molecular Weight: 648.8491

Identification/Properties


Properties
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.439
Computed Properties
Molecular Weight:
648.849g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
11
Rotatable Bond Count:
23
Exact Mass:
648.343g/mol
Monoisotopic Mass:
648.343g/mol
Topological Polar Surface Area:
86A^2
Heavy Atom Count:
41
Formal Charge:
0
Complexity:
594
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319
Precautionary Statements:
P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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