tert-butyl 4-[4-amino-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate


Chemical Name: tert-butyl 4-[4-amino-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate
CAS Number: 193902-87-3
Product Number: AG00ABWI(AGN-PC-01NTFI)
Synonyms:
MDL No:
Molecular Formula: C16H22F3N3O2
Molecular Weight: 345.3600

Identification/Properties


Computed Properties
Molecular Weight:
345.366g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
3
Exact Mass:
345.166g/mol
Monoisotopic Mass:
345.166g/mol
Topological Polar Surface Area:
58.8A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
443
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:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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