1,2-Piperazinedicarboxylicacid, 4-(phenylmethyl)-, 1-(1,1-dimethylethyl) ester, (2S)-


Chemical Name: 1,2-Piperazinedicarboxylicacid, 4-(phenylmethyl)-, 1-(1,1-dimethylethyl) ester, (2S)-
CAS Number: 898282-25-2
Product Number: AG003XPL(AGN-PC-0VPMZL)
Synonyms:
MDL No:
Molecular Formula: C17H24N2O4
Molecular Weight: 320.3835

Identification/Properties


Computed Properties
Molecular Weight:
320.389g/mol
XLogP3:
-0.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
5
Exact Mass:
320.174g/mol
Monoisotopic Mass:
320.174g/mol
Topological Polar Surface Area:
70.1A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
427
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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