RefChem:329198
[3-[[di(propan-2-yl)amino]methyl]-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 4-nitrobenzoate
Also Known As: p-Nitrobenzoato di 3-di-I-propilaminometil-2-bornanolo|p-Nitrobenzoato di 3-di-I-propilaminometil-2-bornanolo [Italian]|2-Bornanol, 3-((dipropylamino)methyl)-, p-nitrobenzoate (ester)|Bicyclo(2.2.1)heptan-2-ol, 3-((bis(1-methylethyl)amino)methyl)-1,7,7-trimethyl-, 4-nitrobenzoate (ester)|3-{[Di(propan-2-yl)amino]methyl}-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-nitrobenzoate|[2-[[di(propan-2-yl)amino]methyl]-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] 4-nitrobenzoate
| Molecular Formula | C24H36N2O4 |
|---|---|
| Molecular Weight | 416.26752 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.26752 |
| Monoisotopic Mass | 416.26752 |
| Heavy Atoms | 30 |
| Complexity | 640.0 |
Chemical Identifiers
| CAS Number | 13083-72-2 |
|---|---|
| SMILES | CC(C)N(CC1C2CCC(C1OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])(C2(C)C)C)C(C)C |
| InChIKey | PRPXHMPOKLMIEX-UHFFFAOYSA-N |
Product Overview
RefChem:329198 (CAS 13083-72-2), with molecular formula C24H36N2O4 and molecular weight 416.26752 g/mol. IUPAC: [3-[[di(propan-2-yl)amino]methyl]-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 4-nitrobenzoate.