| CAS Number | 149650-08-8 |
| Catalog Number | AG01DHFU(AGN-PC-0Q3MI2) |
| Chemical Name | (E)-Ethyl 4-((tert-butoxycarbonyl)(methyl)amino)but-2-enoate |
| IUPAC Name | ethyl 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]but-2-enoate |
| InChI | InChI=1S/C12H21NO4/c1-6-16-10(14)8-7-9-13(5)11(15)17-12(2,3)4/h7-8H,6,9H2,1-5H3 |
| InChI Key | SBZUSLOEYRVCLL-UHFFFAOYSA-N |
| MDL Number | MFCD30472003 |
| Molecular Formula | C12H21NO4 |
| Molecular Weight | 243.2994 |
| SMILES | CCOC(=O)/C=C/CN(C(=O)OC(C)(C)C)C |
| Synonyms | (E)-Ethyl 4-((tert-butoxycarbonyl)(methyl)amino)but-2-enoate,
149650-08-8,
|
| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.303g/mol |
| Monoisotopic Mass | 243.147g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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