n-(2,4-Dinitrophenyl)-3-[(2,4-dinitrophenyl)amino]alanine
2,3-bis(2,4-dinitroanilino)propanoic acid
Also Known As: 2,3-bis(2,4-dinitroanilino)propanoic acid|n-(2,4-dinitrophenyl)-3-[(2,4-dinitrophenyl)amino]alanine|3-(2,4-Dinitroanilino)-N-(2,4-dinitrophenyl)alanine
CAS: 54897-71-1
| Molecular Formula | C15H12N6O10 |
|---|---|
| Molecular Weight | 436.0615 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 245.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 436.0615 |
| Monoisotopic Mass | 436.0615 |
| Heavy Atoms | 31 |
| Complexity | 713.0 |
Chemical Identifiers
| CAS Number | 54897-71-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCC(C(=O)O)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | LQXSGZJZPLZRSM-UHFFFAOYSA-N |
Product Overview
n-(2,4-Dinitrophenyl)-3-[(2,4-dinitrophenyl)amino]alanine (CAS 54897-71-1), with molecular formula C15H12N6O10 and molecular weight 436.0615 g/mol. IUPAC: 2,3-bis(2,4-dinitroanilino)propanoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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