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16154-60-2 | 1-Piperazinecarboxylic acid, 4-(4-nitrophenyl)-, ethyl ester
CAS No: 16154-60-2 Catalog No: AG001VOV MDL No:MFCD00415974
Product Description
Catalog Number:
AG001VOV
Chemical Name:
1-Piperazinecarboxylic acid, 4-(4-nitrophenyl)-, ethyl ester
CAS Number:
16154-60-2
Molecular Formula:
C13H17N3O4
Molecular Weight:
279.2918
MDL Number:
MFCD00415974
IUPAC Name:
ethyl 4-(4-nitrophenyl)piperazine-1-carboxylate
InChI:
InChI=1S/C13H17N3O4/c1-2-20-13(17)15-9-7-14(8-10-15)11-3-5-12(6-4-11)16(18)19/h3-6H,2,7-10H2,1H3
InChI Key:
DRMNLUNMWNYMQU-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.122g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.296g/mol
Monoisotopic Mass:
279.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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