| CAS Number | 1400589-80-1 |
| Catalog Number | AG001BZ5(AGN-PC-0WQXP2) |
| Chemical Name | 4-Morpholinecarboxylic acid, 6-(hydroxymethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (6S)- |
| IUPAC Name | tert-butyl (6S)-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxylate |
| InChI | InChI=1S/C12H23NO4/c1-11(2,3)17-10(15)13-6-9(7-14)16-12(4,5)8-13/h9,14H,6-8H2,1-5H3/t9-/m0/s1 |
| InChI Key | KKFSVQAEKAPAJT-VIFPVBQESA-N |
| MDL Number | MFCD22690358 |
| Molecular Formula | C12H23NO4 |
| Molecular Weight | 245.3153 |
| SMILES | O=C(N1CC(C)(C)O[C@H](CO)C1)OC(C)(C)C |
| Synonyms | (S)-TERT-BUTYL 6-(HYDROXYMETHYL)-2,2-DIMETHYLMORPHOLINE-4-CARBOXYLATE,
1400589-80-1,
SCHEMBL12526132,
KKFSVQAEKAPAJT-VIFPVBQESA-N,
MFCD22690358,
ZINC91692676,
AS-39101,
CS-0080310,
1,1-dimethylethyl (6S)-6-(hydroxymethyl)-2,2-dimethyl-4-morpholinecarboxylate,
4-Morpholinecarboxylic acid, 6-(hydroxymethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (6S)-,
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| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.319g/mol |
| Monoisotopic Mass | 245.163g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number