RefChem:1068052
ethyl-[2-(2-methyl-5,6,7,8-tetrahydroindolizin-3-yl)ethyl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 5,6,7,8-Tetrahydro-N-ethyl-2-methyl-3-indolizineethanamine (Z)-2-butenedioate|3-Indolizineethanamine, 5,6,7,8-tetrahydro-N-ethyl-2-methyl-, (Z)-2-butenedioate (1:1)|3-INDOLIZINEETHANAMINE, 5,6,7,8-TETRAHYDRO-N-ETHYL-2-METHYL-, (Z)-2-BUTENEDIOATE|ethyl-[2-(2-methyl-5,6,7,8-tetrahydroindolizin-3-yl)ethyl]azanium; (Z)-4-hydroxy-4-oxobut-2-enoate
| Molecular Formula | C17H26N2O4 |
|---|---|
| Molecular Weight | 322.18927 g/mol |
| LogP | -0.36428 |
| Topological Polar Surface Area | 98.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.18927 |
| Monoisotopic Mass | 322.18927 |
| Heavy Atoms | 23 |
| Complexity | 545.18475 |
Chemical Identifiers
| CAS Number | 70403-65-5 |
|---|---|
| SMILES | CC[NH2+]CCC1=C(C=C2N1CCCC2)C.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1068052 (CAS 70403-65-5), with molecular formula C17H26N2O4 and molecular weight 322.18927 g/mol. IUPAC: ethyl-[2-(2-methyl-5,6,7,8-tetrahydroindolizin-3-yl)ethyl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
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