| CAS Number | 66382-22-7 |
| Catalog Number | AG003ARC(AGN-PC-0OFQA4) |
| Chemical Name | N2-(1-Ethylpropyl)-4,5-dimethyl-3-nitro-1,2-benzenediamine |
| IUPAC Name | 4,5-dimethyl-3-nitro-2-N-pentan-3-ylbenzene-1,2-diamine |
| InChI | InChI=1S/C13H21N3O2/c1-5-10(6-2)15-12-11(14)7-8(3)9(4)13(12)16(17)18/h7,10,15H,5-6,14H2,1-4H3 |
| InChI Key | DKAAQXSIAFALQW-UHFFFAOYSA-N |
| MDL Number | MFCD31700691 |
| Molecular Formula | C13H21N3O2 |
| Molecular Weight | 251.3247 |
| SMILES | C(C)C(CC)NC=1C(=CC(=C(C1[N+](=O)[O-])C)C)N |
| Synonyms | 66382-22-7,
DKAAQXSIAFALQW-UHFFFAOYSA-N,
2-nitro-6-amino-N-(1-ethylpropyl)-3,4-xylidine,
N4 -(1-Ethylpropyl)-3-nitro-o-xylene-4,5-diamine,
2-(1-Ethylpropyl)amino-4,5-dimethyl-3-nitroaniline,
4,5-dimethyl-6-nitro-N1-(pentan-3-yl)benzene-1,2-diamine,
N2-(1-Ethylpropyl)-4,5-dimethyl-3-nitro-1,2-benzenediamine,
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| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.33g/mol |
| Monoisotopic Mass | 251.163g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 83.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number