1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chlorophenoxy)ethanone


Chemical Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chlorophenoxy)ethanone
CAS Number: 34161-24-5
Product Number: AG00C0KP(AGN-PC-0JK6IR)
Synonyms:
MDL No:
Molecular Formula: C20H21ClN2O4
Molecular Weight: 388.8447

Identification/Properties


Computed Properties
Molecular Weight:
388.848g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
5
Exact Mass:
388.119g/mol
Monoisotopic Mass:
388.119g/mol
Topological Polar Surface Area:
51.2A^2
Heavy Atom Count:
27
Formal Charge:
0
Complexity:
492
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



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