3-(piperazin-1-yl)benzoic acid hydrochloride


Chemical Name: 3-(piperazin-1-yl)benzoic acid hydrochloride
CAS Number: 1998216-00-4
Product Number: AG019EZB(AG019EZB)
Synonyms:
MDL No:
Molecular Formula: C11H15ClN2O2
Molecular Weight: 242.7020

Identification/Properties


Computed Properties
Molecular Weight:
242.703g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
242.082g/mol
Monoisotopic Mass:
242.082g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
227
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:
H302-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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