VX4CPE4LMM
benzene-1,2,4-tricarboxylic acid;3-(2-undecylimidazol-1-yl)propanenitrile
Also Known As: Trimellitic acid 1-cyanoethyl-2-undecylimidazole salt|1-Cyanoethyl-2-undecylimidazole, trimellitate|1,2,4-Benzenetricarboxylic acid, compd. with 2-undecyl-1H-imidazole-1-propanenitrile|1,2,4-Benzenetricarboxylic acid, compd. with 2-undecyl-1H-imidazole-1-propanenitrile (1:?)|Benzene-1,2,4-tricarboxylic acid, compd. with 2-undecyl-1H-imidazole-1-propiononitrile (1:1)|benzene-1,2,4-tricarboxylic acid; 3-(2-undecylimidazol-1-yl)propanenitrile|Benzene-1,2,4-tricarboxylic acid, compound with 2-undecyl-1H-imidazole-1-propiononitrile (1:1)|benzene-1,2,4-tricarboxylic acid,3-(2-undecylimidazol-1-yl)propanenitrile|1,2,4-Benzenetricarboxylic acid, compound with 2-undecyl-1H-imidazole-1-propanenitrile|Benzene-1,2,4-tricarboxylic acid--3-(2-undecyl-1H-imidazol-1-yl)propanenitrile (1/1)
| Molecular Formula | C26H35N3O6 |
|---|---|
| Molecular Weight | 485.2526 g/mol |
| LogP | 5.65128 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Exact Mass | 485.2526 |
| Monoisotopic Mass | 485.2526 |
| Heavy Atoms | 35 |
| Complexity | 566.0 |
Chemical Identifiers
| CAS Number | 85598-94-3 |
|---|---|
| SMILES | CCCCCCCCCCCC1=NC=CN1CCC#N.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O |
| InChIKey | HYTXDGPNBWYWDM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
VX4CPE4LMM (CAS 85598-94-3), with molecular formula C26H35N3O6 and molecular weight 485.2526 g/mol. IUPAC: benzene-1,2,4-tricarboxylic acid;3-(2-undecylimidazol-1-yl)propanenitrile.
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