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1245643-33-7 | 1,4-Piperazinedicarboxylic acid, 2-ethyl-, 1-(1,1-dimethylethyl) 4-(phenylmethyl) ester
CAS No: 1245643-33-7 Catalog No: AG000M88 MDL No:
Product Description
Catalog Number:
AG000M88
Chemical Name:
1,4-Piperazinedicarboxylic acid, 2-ethyl-, 1-(1,1-dimethylethyl) 4-(phenylmethyl) ester
CAS Number:
1245643-33-7
Molecular Formula:
C19H28N2O4
Molecular Weight:
348.4366
IUPAC Name:
4-O-benzyl 1-O-tert-butyl 2-ethylpiperazine-1,4-dicarboxylate
InChI:
InChI=1S/C19H28N2O4/c1-5-16-13-20(11-12-21(16)18(23)25-19(2,3)4)17(22)24-14-15-9-7-6-8-10-15/h6-10,16H,5,11-14H2,1-4H3
InChI Key:
WBKZOYOTQYAOTG-UHFFFAOYSA-N
SMILES:
CCC1CN(CCN1C(=O)OC(C)(C)C)C(=O)OCc1ccccc1
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.205g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.443g/mol
Monoisotopic Mass:
348.205g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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