| CAS Number | 876126-59-9 |
| Catalog Number | AG004I2T(AGN-PC-077B7I) |
| Chemical Name | Benzamide, 3-methoxy-N-(1-methyl-4-piperidinyl)-4-nitro- |
| IUPAC Name | 3-methoxy-N-(1-methylpiperidin-4-yl)-4-nitrobenzamide |
| InChI | InChI=1S/C14H19N3O4/c1-16-7-5-11(6-8-16)15-14(18)10-3-4-12(17(19)20)13(9-10)21-2/h3-4,9,11H,5-8H2,1-2H3,(H,15,18) |
| InChI Key | VMXVRIYTWVAOEC-UHFFFAOYSA-N |
| MDL Number | MFCD28096665 |
| Molecular Formula | C14H19N3O4 |
| Molecular Weight | 293.3184 |
| SMILES | COc1cc(ccc1[N+](=O)[O-])C(=O)NC1CCN(CC1)C |
| Synonyms | 876126-59-9,
Benzamide, 3-methoxy-N-(1-methyl-4-piperidinyl)-4-nitro-,
SCHEMBL736393,
CTK2I2343,
DTXSID80659272,
AKOS030577653,
3-Methoxy-N-(1-methylpiperidin-4-yl)-4-nitrobenzamide,
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| Complexity | 377 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.138g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.323g/mol |
| Monoisotopic Mass | 293.138g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 87.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number