| CAS Number | 502178-78-1 |
| Catalog Number | AG01AWA3(AGN-PC-0C76PJ) |
| Chemical Name | N-Ethyl-5-methyl-2-nitroaniline |
| IUPAC Name | N-ethyl-5-methyl-2-nitroaniline |
| InChI | InChI=1S/C9H12N2O2/c1-3-10-8-6-7(2)4-5-9(8)11(12)13/h4-6,10H,3H2,1-2H3 |
| InChI Key | HEARVZFZEZXEEW-UHFFFAOYSA-N |
| MDL Number | MFCD23725901 |
| Molecular Formula | C9H12N2O2 |
| Molecular Weight | 180.2038 |
| SMILES | O=[N+](C1=CC=C(C)C=C1NCC)[O-] |
| Synonyms | N-ethyl-5-methyl-2-nitroaniline,
502178-78-1,
SCHEMBL981242,
ZINC83823461,
AKOS017531711,
MCULE-2702296575,
NE52005,
Benzenamine, N-ethyl-5-methyl-2-nitro-,
Z1396552535,
N-ethyl-5-methyl-2-nitrobenzenamine,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.207g/mol |
| Monoisotopic Mass | 180.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number