2-Piperazineacetic acid, 3-oxo-, ethyl ester


Chemical Name: 2-Piperazineacetic acid, 3-oxo-, ethyl ester
CAS Number: 33422-35-4
Product Number: AG007FE1(AGN-PC-0JSN7L)
Synonyms:
MDL No:
Molecular Formula: C8H14N2O3
Molecular Weight: 186.2084

Identification/Properties


Computed Properties
Molecular Weight:
186.211g/mol
XLogP3:
-0.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
186.1g/mol
Monoisotopic Mass:
186.1g/mol
Topological Polar Surface Area:
67.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
206
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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:
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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