RefChem:1073422
2-(7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yloxy)ethyl-dimethylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 5H-Benzo(4,5)cyclohepta(1,2-b)pyridine, 5-(2-(dimethylamino)ethoxy)-, hydrogen maleate|5-(2-(Dimethylamino)ethoxy)-5H-benzo(4,5)cyclohepta(1,2-b)pyridine hydrogen maleate|Ethanamine, 2-(5H-benzo[4,5]cyclohepta[1,2-b]pyridin-5-yloxy)-N,N-dimethyl-, (Z)-2-butenedioate (1:1)
| Molecular Formula | C22H24N2O5 |
|---|---|
| Molecular Weight | 396.16852 g/mol |
| LogP | 0.193 |
| Topological Polar Surface Area | 103.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.16852 |
| Monoisotopic Mass | 396.16852 |
| Heavy Atoms | 29 |
| Complexity | 840.08057 |
Chemical Identifiers
| CAS Number | 17895-97-5 |
|---|---|
| SMILES | C[NH+](C)CCOC1C2=C(C=CC3=CC=CC=C13)N=CC=C2.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1073422 (CAS 17895-97-5), with molecular formula C22H24N2O5 and molecular weight 396.16852 g/mol. IUPAC: 2-(7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yloxy)ethyl-dimethylazanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
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