RefChem:1068050
dimethyl-[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,N,2-trimethyl-3-indolizineethanamine (Z)-2-butenedioate|3-Indolizineethanamine, 5,6,7,8-tetrahydro-N,N,2-trimethyl-, (Z)-2-butenedioate (1:1)|3-INDOLIZINEETHANAMINE, 5,6,7,8-TETRAHYDRO-N,N,2-TRIMETHYL-, (Z)-2-BUTENEDIOATE|dimethyl-[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 | -0.80308 |
| Topological Polar Surface Area | 86.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.18927 |
| Monoisotopic Mass | 322.18927 |
| Heavy Atoms | 23 |
| Complexity | 557.3937 |
Chemical Identifiers
| CAS Number | 70403-68-8 |
|---|---|
| SMILES | CC1=C(N2CCCCC2=C1)CC[NH+](C)C.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1068050 (CAS 70403-68-8), with molecular formula C17H26N2O4 and molecular weight 322.18927 g/mol. IUPAC: dimethyl-[2-(2-methyl-5,6,7,8-tetrahydroindolizin-3-yl)ethyl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
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