1,3-Piperazinedicarboxylic acid, 1-(1,1-dimethylethyl) 3-methyl ester


Chemical Name: 1,3-Piperazinedicarboxylic acid, 1-(1,1-dimethylethyl) 3-methyl ester
CAS Number: 129799-08-2
Product Number: AG000TP4(AGN-PC-0K63T0)
Synonyms:
MDL No: MFCD01632465
Molecular Formula: C11H20N2O4
Molecular Weight: 244.2875

Identification/Properties


Properties
MP:
159 - 160 °C
BP:
321.3°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Solubility:
Soluble in dimethyl sulfoxide.
Computed Properties
Molecular Weight:
244.291g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
244.142g/mol
Monoisotopic Mass:
244.142g/mol
Topological Polar Surface Area:
67.9A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
298
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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