RefChem:1097186
(E)-but-2-enedioic acid;2-(5-chloro-1,9-dimethyl-3,4-dihydropyrano[3,4-b]indol-1-yl)-N,N-dimethylethanamine
Also Known As: Pyrano(3,4-b)indole, 1,3,4,9-tetrahydro-5-chloro-1,9-dimethyl-1-(2-(dimethylamino)ethyl)-, maleate|(E)-but-2-enedioic acid; 2-(5-chloro-1,9-dimethyl-3,4-dihydropyrano[3,4-b]indol-1-yl)-N,N-dimethylethanamine|Pyrano[3,4-b]indole-1-ethanamine, 5-chloro-1,3,4,9-tetrahydro-N,N,1,9-tetramethyl-, (Z)-2-butenedioate (1:1)
| Molecular Formula | C21H27ClN2O5 |
|---|---|
| Molecular Weight | 422.16086 g/mol |
| LogP | 3.2831 |
| Topological Polar Surface Area | 92.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.16086 |
| Monoisotopic Mass | 422.16086 |
| Heavy Atoms | 29 |
| Complexity | 918.78467 |
Chemical Identifiers
| CAS Number | 57791-10-3 |
|---|---|
| SMILES | CC1(C2=C(CCO1)C3=C(N2C)C=CC=C3Cl)CCN(C)C.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1097186 (CAS 57791-10-3), with molecular formula C21H27ClN2O5 and molecular weight 422.16086 g/mol. IUPAC: (E)-but-2-enedioic acid;2-(5-chloro-1,9-dimethyl-3,4-dihydropyrano[3,4-b]indol-1-yl)-N,N-dimethylethanamine.
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