2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-4-carboxylic acid


Chemical Name: 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-4-carboxylic acid
CAS Number: 668484-45-5
Product Number: AG006QE1(AGN-PC-0CYJX7)
Synonyms:
MDL No:
Molecular Formula: C13H19N3O4S
Molecular Weight: 313.3727

Identification/Properties


Properties
MP:
162 °C
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
313.372g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
4
Exact Mass:
313.11g/mol
Monoisotopic Mass:
313.11g/mol
Topological Polar Surface Area:
111A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
405
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-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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