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1788041-42-8 | 1-Piperazinecarboxylic acid, 4-[(1-ethoxycyclopropyl)carbonyl]-, 1,1-dimethylethyl ester
CAS No: 1788041-42-8 Catalog No: AG0026CS MDL No:MFCD28502551
Product Description
Catalog Number:
AG0026CS
Chemical Name:
1-Piperazinecarboxylic acid, 4-[(1-ethoxycyclopropyl)carbonyl]-, 1,1-dimethylethyl ester
CAS Number:
1788041-42-8
Molecular Formula:
C15H26N2O4
Molecular Weight:
298.3779
MDL Number:
MFCD28502551
IUPAC Name:
tert-butyl 4-(1-ethoxycyclopropanecarbonyl)piperazine-1-carboxylate
InChI:
InChI=1S/C15H26N2O4/c1-5-20-15(6-7-15)12(18)16-8-10-17(11-9-16)13(19)21-14(2,3)4/h5-11H2,1-4H3
InChI Key:
VPMAFGGDBMPXNI-UHFFFAOYSA-N
SMILES:
CCOC1(CC1)C(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.189g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.383g/mol
Monoisotopic Mass:
298.189g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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