RefChem:1085164
dimethyl-[2-(2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaenyloxy)ethyl]azanium;(E)-4-hydroxy-4-oxobut-2-enoate
Also Known As: Ethylamine, N,N-dimethyl-2-((5,6,11,12-tetrahydrodibenzo(a,e)cycloocten-5-yl)oxy)-, fumarate (1:1)|5-(2-(Dimethylamino)ethoxy)-5,6,11,12-tetrahydrodibenzo(a,e)cyclooctene fumarate
CAS: 861-48-3
| Molecular Formula | C24H29NO5 |
|---|---|
| Molecular Weight | 411.20456 g/mol |
| LogP | 0.6072 |
| Topological Polar Surface Area | 91.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.20456 |
| Monoisotopic Mass | 411.20456 |
| Heavy Atoms | 30 |
| Complexity | 859.40497 |
Chemical Identifiers
| CAS Number | 861-48-3 |
|---|---|
| SMILES | C[NH+](C)CCOC1CC2=CC=CC=C2CCC3=CC=CC=C13.C(=C/C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1085164 (CAS 861-48-3), with molecular formula C24H29NO5 and molecular weight 411.20456 g/mol. IUPAC: dimethyl-[2-(2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaenyloxy)ethyl]azanium;(E)-4-hydroxy-4-oxobut-2-enoate.
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.
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