| CAS Number | 52177-10-3 |
| Catalog Number | AG006VXE(AGN-PC-000LP1) |
| Chemical Name | Benzenamine, N,3-dimethyl-4-nitro- |
| IUPAC Name | N,3-dimethyl-4-nitroaniline |
| InChI | InChI=1S/C8H10N2O2/c1-6-5-7(9-2)3-4-8(6)10(11)12/h3-5,9H,1-2H3 |
| InChI Key | GEELCTZCKMIRAO-UHFFFAOYSA-N |
| MDL Number | MFCD12169124 |
| Molecular Formula | C8H10N2O2 |
| Molecular Weight | 166.1772 |
| SMILES | CNC1=CC(=C(C=C1)[N+](=O)[O-])C |
| Synonyms | N,3-dimethyl-4-nitroaniline,
52177-10-3,
Benzenamine, N,3-dimethyl-4-nitro-,
3,N-Dimethyl-4-nitroaniline,
SCHEMBL9136568,
3,N-dimethyl-4-nitrobenzenamine,
CTK1G3217,
DTXSID80556555,
GEELCTZCKMIRAO-UHFFFAOYSA-N,
N-methyl-3-methyl-4-nitroaniline,
ZINC34236356,
AKOS009469904,
MCULE-4471605978,
NE15446,
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| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.18g/mol |
| Monoisotopic Mass | 166.074g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.8A^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