1,2,4-Piperazinetricarboxylic acid, 1-(1,1-dimethylethyl)4-(phenylmethyl) ester, (2R)-


Chemical Name: 1,2,4-Piperazinetricarboxylic acid, 1-(1,1-dimethylethyl)4-(phenylmethyl) ester, (2R)-
CAS Number: 138775-02-7
Product Number: AG0019JY(AGN-PC-0PNBOO)
Synonyms:
MDL No:
Molecular Formula: C18H23N2O6-
Molecular Weight: 363.3850

Identification/Properties


Computed Properties
Molecular Weight:
364.398g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
6
Exact Mass:
364.163g/mol
Monoisotopic Mass:
364.163g/mol
Topological Polar Surface Area:
96.4A^2
Heavy Atom Count:
26
Formal Charge:
0
Complexity:
524
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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