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209667-59-4 | 1-Piperazineacetic acid, 4-[(1,1-dimethylethoxy)carbonyl]-, ethyl ester
CAS No: 209667-59-4 Catalog No: AG002KCT MDL No:MFCD06795955
Product Description
Catalog Number:
AG002KCT
Chemical Name:
1-Piperazineacetic acid, 4-[(1,1-dimethylethoxy)carbonyl]-, ethyl ester
CAS Number:
209667-59-4
Molecular Formula:
C13H24N2O4
Molecular Weight:
272.3407
MDL Number:
MFCD06795955
IUPAC Name:
tert-butyl 4-(2-ethoxy-2-oxoethyl)piperazine-1-carboxylate
InChI:
InChI=1S/C13H24N2O4/c1-5-18-11(16)10-14-6-8-15(9-7-14)12(17)19-13(2,3)4/h5-10H2,1-4H3
InChI Key:
BWRNREIEPIQCOI-UHFFFAOYSA-N
SMILES:
CCOC(=O)CN1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.174g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.345g/mol
Monoisotopic Mass:
272.174g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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