2-(Diethylamino)ethyl 4-nitrobenzoate;4-nitrobenzoic acid
2-(diethylamino)ethyl 4-nitrobenzoate;4-nitrobenzoic acid
Also Known As: 4-nitrobenzoic acid- 2-(diethylamino)ethyl 4-nitrobenzoate(1:1)|2-diethylaminoethyl 4-nitrobenzoate; 4-nitrobenzoic acid|2-(Diethylamino)ethyl 4-nitrobenzoate;4-nitrobenzoic acid|4-Nitrobenzoic acid--2-(diethylamino)ethyl 4-nitrobenzoate (1/1)
CAS: 29775-41-5
| Molecular Formula | C20H23N3O8 |
|---|---|
| Molecular Weight | 433.14853 g/mol |
| LogP | 3.3864 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 433.14853 |
| Monoisotopic Mass | 433.14853 |
| Heavy Atoms | 31 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 29775-41-5 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-].C1=CC(=CC=C1C(=O)O)[N+](=O)[O-] |
| InChIKey | QGZXBBJSBCZXQK-UHFFFAOYSA-N |
Product Overview
2-(Diethylamino)ethyl 4-nitrobenzoate;4-nitrobenzoic acid (CAS 29775-41-5), with molecular formula C20H23N3O8 and molecular weight 433.14853 g/mol. IUPAC: 2-(diethylamino)ethyl 4-nitrobenzoate;4-nitrobenzoic 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 →
2-(Diethylamino)ethyl 4-nitrobenzoate;4-nitrobenzoic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
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