AC1Q1TJU
ethyl 2,2-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ium-8-carboxylate iodide
Also Known As: 1,2,3,4-Tetrahydro-8-carboxy-2,2-dimethyl-5H-pyrido(4,3-b)indolium iodide ethylester|5H-Pyrido(4,3-b)indolium, 1,2,3,4-tetrahydro-8-carboxy-2,2-dimethyl-, iodide, ethyl ester|8-(ethoxycarbonyl)-2,2-dimethyl-2,3,4,5-tetrahydro-1h-pyrido[4,3-b]indol-2-ium iodide|ethyl 2,2-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ium-8-carboxylate iodide|ethyl 2,2-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ium-8-carboxylate,iodide|1H-Pyrido[4,3-b]indolium,8-(ethoxycarbonyl)-2,3,4,5-tetrahydro-2,2-dimethyl-, iodide (1:1)
| Molecular Formula | C16H21IN2O2 |
|---|---|
| Molecular Weight | 400.0648 g/mol |
| LogP | -0.5189 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.0648 |
| Monoisotopic Mass | 400.0648 |
| Heavy Atoms | 21 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 5336-96-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(C=C1)NC3=C2C[N+](CC3)(C)C.[I-] |
| InChIKey | BVHNWEITFHGDRD-UHFFFAOYSA-N |
Product Overview
AC1Q1TJU (CAS 5336-96-9), with molecular formula C16H21IN2O2 and molecular weight 400.0648 g/mol. IUPAC: ethyl 2,2-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ium-8-carboxylate iodide.
AC1Q1TJU is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »