| CAS Number | 16154-61-3 |
| Catalog Number | AG001VOU(AGN-PC-0WCCFV) |
| Chemical Name | 1-Methyl-4-(3-methyl-4-nitrophenyl)piperazine |
| IUPAC Name | 1-methyl-4-(3-methyl-4-nitrophenyl)piperazine |
| InChI | InChI=1S/C12H17N3O2/c1-10-9-11(3-4-12(10)15(16)17)14-7-5-13(2)6-8-14/h3-4,9H,5-8H2,1-2H3 |
| InChI Key | YVVZWEJZESFFDB-UHFFFAOYSA-N |
| MDL Number | MFCD11039716 |
| Molecular Formula | C12H17N3O2 |
| Molecular Weight | 235.2823 |
| SMILES | C1N(C)CCN(C2C=CC([N+]([O-])=O)=C(C)C=2)C1 |
| Synonyms | 1-Methyl-4-(3-methyl-4-nitrophenyl)piperazine,
16154-61-3,
Piperazine, 1-methyl-4-(3-methyl-4-nitrophenyl)-,
SCHEMBL170932,
SCHEMBL13770541,
DTXSID20593787,
YVVZWEJZESFFDB-UHFFFAOYSA-N,
5174AD,
MFCD11039716,
ZINC44713476,
AKOS008736858,
AS-8708,
L-1244,
1-Methyl-4-(3-methyl-4-nitro-phenyl)-piperazine,
C12H17N3O2,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.287g/mol |
| Monoisotopic Mass | 235.132g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number