BENZYLAMINE, o-BROMO-N-(5-BROMOPENTYL)-N-ETHYL-, OXALATE
5-bromopentyl-[(2-bromophenyl)methyl]-ethylazanium;2-hydroxy-2-oxoacetate
| Molecular Formula | C16H23Br2NO4 |
|---|---|
| Molecular Weight | 453.2 g/mol |
| Topological Polar Surface Area | 81.9 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 452.99734 |
| Heavy Atoms | 23 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 40616-90-8 |
|---|---|
| SMILES | CC[NH+](CCCCCBr)CC1=CC=CC=C1Br.C(=O)(C(=O)[O-])O |
| InChIKey | ROULFTCGDOMXQN-UHFFFAOYSA-N |
📖 Product Overview
BENZYLAMINE, o-BROMO-N-(5-BROMOPENTYL)-N-ETHYL-, OXALATE (CAS: 40616-90-8) is a chemical compound with molecular formula C16H23Br2NO4 and molecular weight 453.2 g/mol. Its IUPAC systematic name is 5-bromopentyl-[(2-bromophenyl)methyl]-ethylazanium;2-hydroxy-2-oxoacetate.
ROULFTCGDOMXQN-UHFFFAOYSA-N.
SMILES: CC[NH+](CCCCCBr)CC1=CC=CC=C1Br.C(=O)(C(=O)[O-])O.
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