| CAS Number | 41263-72-3 |
| Catalog Number | AG00I82R(AGN-PC-0WQXHS) |
| Chemical Name | N-METHYL-4-(METHYLAMINO)-3-NITROBENZAMIDE |
| IUPAC Name | N-methyl-4-(methylamino)-3-nitrobenzamide |
| InChI | InChI=1S/C9H11N3O3/c1-10-7-4-3-6(9(13)11-2)5-8(7)12(14)15/h3-5,10H,1-2H3,(H,11,13) |
| InChI Key | FDPTYFWGUOZYDO-UHFFFAOYSA-N |
| MDL Number | MFCD12197094 |
| Molecular Formula | C9H11N3O3 |
| Molecular Weight | 209.2019 |
| SMILES | CNC(C1=CC([N+]([O-])=O)=C(NC)C=C1)=O |
| Synonyms | N-methyl-4-(methylamino)-3-nitrobenzamide,
41263-72-3,
AC1Q40K5,
SCHEMBL2253159,
CTK6I4225,
FDPTYFWGUOZYDO-UHFFFAOYSA-N,
MFCD12197094,
ZINC33026325,
AKOS007999239,
MCULE-7512708500,
NE15482,
N-methyl-4-methylamino-3-nitro-benzamide,
EN300-44233,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.205g/mol |
| Monoisotopic Mass | 209.08g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 87A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number