| CAS Number | 954228-54-7 |
| Catalog Number | AG003HHO(AGN-PC-0WA6UF) |
| Chemical Name | 2-Isopropylamino-5-methyl-3-nitropyridine |
| IUPAC Name | 5-methyl-3-nitro-N-propan-2-ylpyridin-2-amine |
| InChI | InChI=1S/C9H13N3O2/c1-6(2)11-9-8(12(13)14)4-7(3)5-10-9/h4-6H,1-3H3,(H,10,11) |
| InChI Key | GKEAGKLNHIWCRC-UHFFFAOYSA-N |
| MDL Number | MFCD09862694 |
| Molecular Formula | C9H13N3O2 |
| Molecular Weight | 195.2184 |
| SMILES | CC(Nc1ncc(cc1[N+](=O)[O-])C)C |
| Synonyms | 954228-54-7,
2-ISOPROPYLAMINO-5-METHYL-3-NITROPYRIDINE,
N-Isopropyl-5-methyl-3-nitropyridin-2-amine,
5-Methyl-3-nitro-N-(propan-2-yl)pyridin-2-amine,
ACMC-209ryp,
CTK5H7726,
DTXSID60647935,
ANW-40511,
MFCD09862694,
ZINC39956540,
AKOS006311711,
RTR-029786,
TR-029786,
V9611,
B-5290,
5-methyl-3-nitro-N-propan-2-ylpyridin-2-amine,
I02-3306,
C9H13N3O2,
Isopropyl-(5-methyl-3-nitro-pyridin-2-yl)-amine,
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| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.222g/mol |
| Monoisotopic Mass | 195.101g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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