1-(2,2,2-trifluoroethyl)piperazine;dihydrochloride


Chemical Name: 1-(2,2,2-trifluoroethyl)piperazine;dihydrochloride
CAS Number: 13349-91-2
Product Number: AG0037V2(AGN-PC-00WQDU)
Synonyms:
MDL No:
Molecular Formula: C6H13Cl2F3N2
Molecular Weight: 241.0820

Identification/Properties


Computed Properties
Molecular Weight:
241.079g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
240.041g/mol
Monoisotopic Mass:
240.041g/mol
Topological Polar Surface Area:
15.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
118
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:
3
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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