2-Piperazineacetic acid, 4-[(1,1-dimethylethoxy)carbonyl]-, methyl ester


Chemical Name: 2-Piperazineacetic acid, 4-[(1,1-dimethylethoxy)carbonyl]-, methyl ester
CAS Number: 183742-33-8
Product Number: AG00APIT(AGN-PC-0K63SZ)
Synonyms:
MDL No:
Molecular Formula: C12H22N2O4
Molecular Weight: 258.31408

Identification/Properties


Computed Properties
Molecular Weight:
258.318g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
5
Exact Mass:
258.158g/mol
Monoisotopic Mass:
258.158g/mol
Topological Polar Surface Area:
67.9A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
312
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

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NMR Spectrum


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