RefChem:339885
dimethyl-[2-[(5-phenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)oxy]ethyl]azanium;2-hydroxy-2-oxoacetate
Also Known As: RefChem:339885|AC1L1ZW2|CTK4I3185|Ethanamine, N,N-dimethyl-2-((6,7,8,9-tetrahydro-5-phenyl-5H-benzocyclohepten-5-yl)oxy)-, ethandioate (1:1)|DIMETHYL-[2-[(9-PHENYL-5,6,7,8-TETRAHYDROBENZO[7]ANNULEN-9-YL)OXY]ETHYL]AZANIUM;2-HYDROXY-2-OXOACETATE|DIMETHYL-[2-[(2-PHENYL-2-BICYCLO[5.4.0]UNDECA-7,9,11-TRIENYL)OXY]ETHYL]AZANIUM|ETHANAMINE, N,N-DIMETHYL-2-((6,7,8,9-TETRAHYDRO-5-PHENYL-5H-BENZOCYCLOHEPTEN-5-Y|DIMETHYL-[2-[(2-PHENYL-2-BICYCLO[5.4.0]UNDECA-7,9,11-TRIENYL)OXY]ETHYL]AZANIUM; 2-HYDROXY-2-OXO-ACETATE|dimethyl-[2-[(5-phenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)oxy]ethyl]azanium,2-hydroxy-2-oxoacetate|dimethyl-[2-[(5-phenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)oxy]ethyl]azanium; 2-hydroxy-2-oxoacetate
| Molecular Formula | C23H29NO5 |
|---|---|
| Molecular Weight | 399.20456 g/mol |
| LogP | 0.64 |
| Topological Polar Surface Area | 91.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.20456 |
| Heavy Atoms | 29 |
| Complexity | 793.9 |
Chemical Identifiers
| CAS Number | 40494-48-2 |
|---|---|
| SMILES | C[NH+](C)CCOC1(CCCCC2=CC=CC=C21)C3=CC=CC=C3.C(=O)(C(=O)[O-])O |
Product Overview
RefChem:339885 (CAS 40494-48-2), with molecular formula C23H29NO5 and molecular weight 399.20456 g/mol. IUPAC: dimethyl-[2-[(5-phenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)oxy]ethyl]azanium;2-hydroxy-2-oxoacetate.
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