| CAS Number | 58910-37-5 |
| Catalog Number | AG01EH8W(AGN-PC-0KPDQJ) |
| Chemical Name | 1-(2,4-Dinitrophenyl)-4-methylpiperazine |
| IUPAC Name | 1-(2,4-dinitrophenyl)-4-methylpiperazine |
| InChI | InChI=1S/C11H14N4O4/c1-12-4-6-13(7-5-12)10-3-2-9(14(16)17)8-11(10)15(18)19/h2-3,8H,4-7H2,1H3 |
| InChI Key | ZEBGUAUODJBFEV-UHFFFAOYSA-N |
| MDL Number | MFCD00545966 |
| Molecular Formula | C11H14N4O4 |
| Molecular Weight | 266.2533 |
| SMILES | CN1CCN(CC1)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-] |
| Synonyms | 1-(2,4-dinitrophenyl)-4-methylpiperazine,
58910-37-5,
Piperazine, 1-(2,4-dinitrophenyl)-4-methyl-,
AC1MJDDU,
BAS 00524801,
SCHEMBL3313887,
CTK1E8594,
DTXSID60389348,
ZINC4043673,
STK091856,
AKOS000423588,
MCULE-3921991074,
ST4002983,
1-(2,4-Dinitro-phenyl)-4-methyl-piperazine,
A0261/0011816,
CID3110646,
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| Complexity | 346 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.257g/mol |
| Monoisotopic Mass | 266.102g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 98.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number