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Home > Nitro Compounds > 339111-16-9
339111-16-9 | 4-methyl-N-[2-(2-nitroethyl)phenyl]piperazine-1-carboxamide
CAS No: 339111-16-9 Catalog No: AG00IZ3D MDL No:MFCD00974366
Product Description
Catalog Number:
AG00IZ3D
Chemical Name:
4-methyl-N-[2-(2-nitroethyl)phenyl]piperazine-1-carboxamide
CAS Number:
339111-16-9
Molecular Formula:
C14H20N4O3
Molecular Weight:
292.3336
MDL Number:
MFCD00974366
IUPAC Name:
4-methyl-N-[2-(2-nitroethyl)phenyl]piperazine-1-carboxamide
InChI:
InChI=1S/C14H20N4O3/c1-16-8-10-17(11-9-16)14(19)15-13-5-3-2-4-12(13)6-7-18(20)21/h2-5H,6-11H2,1H3,(H,15,19)
InChI Key:
IZQDEZCCZBNCMB-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)C(=O)Nc1ccccc1CC[N+](=O)[O-]
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.154g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.339g/mol
Monoisotopic Mass:
292.154g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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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