| CAS Number | 1797216-60-4 |
| Catalog Number | AG01AV0J |
| Chemical Name | Sodium 2-(2-([(tert-butoxy)carbonyl]amino)ethyl)-1,3-thiazole-4-carboxylate |
| IUPAC Name | sodium;2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-4-carboxylate |
| InChI | InChI=1S/C11H16N2O4S.Na/c1-11(2,3)17-10(16)12-5-4-8-13-7(6-18-8)9(14)15;/h6H,4-5H2,1-3H3,(H,12,16)(H,14,15);/q;+1/p-1 |
| InChI Key | CIBGZFFGDSHERW-UHFFFAOYSA-M |
| MDL Number | MFCD27959410 |
| Molecular Formula | C11H15N2NaO4S |
| Molecular Weight | 294.3026 |
| SMILES | [Na+].CC(OC(NCCC1SC=C(C([O-])=O)N=1)=O)(C)C |
| Synonyms | sodium 2-(2-{[(tert-butoxy)carbonyl]amino}ethyl)-1,3-thiazole-4-carboxylate,
1797216-60-4,
AKOS030755502,
MCULE-4430206736,
NE17785,
Z1800620559,
|
| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.301g/mol |
| Monoisotopic Mass | 294.065g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 120A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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