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(2S,5S)-1-tert-Butyl 2-methyl 5-hydroxypiperidine-1,2-dicarboxylate - 97%, high purity , CAS No.915976-32-8
Basic Description
| Synonyms | (2S,5S)-1-tert-Butyl 2-methyl 5-hydroxypiperidine-1,2-dicarboxylate | SCHEMBL10058235 | CS-0053403 | SCKQPFVBRJQINF-IUCAKERBSA-N | (2S,5S)-1-tert-Butyl2-methyl5-hydroxypiperidine-1,2-dicarboxylate | 1-O-tert-butyl 2-O-methyl (2S,5S)-5-hydroxypiperidine-1, |
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| Specifications & Purity | ≥97% |
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| Shipped In | Normal |
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Names and Identifiers
| IUPAC Name | 1-O-tert-butyl 2-O-methyl (2S,5S)-5-hydroxypiperidine-1,2-dicarboxylate |
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| INCHI | InChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-7-8(14)5-6-9(13)10(15)17-4/h8-9,14H,5-7H2,1-4H3/t8-,9-/m0/s1 |
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| InChi Key | SCKQPFVBRJQINF-IUCAKERBSA-N |
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| Canonical SMILES | CC(C)(C)OC(=O)N1CC(CCC1C(=O)OC)O |
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| Isomeric SMILES | CC(C)(C)OC(=O)N1C[C@H](CC[C@H]1C(=O)OC)O |
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| Alternate CAS | 915976-32-8 |
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| PubChem CID | 56605016 |
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| Molecular Weight | 259.3 |
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Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
| Molecular Weight | 259.300 g/mol |
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| XLogP3 | 0.900 |
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| Hydrogen Bond Donor Count | 1 |
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| Hydrogen Bond Acceptor Count | 5 |
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| Rotatable Bond Count | 4 |
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| Exact Mass | 259.142 Da |
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| Monoisotopic Mass | 259.142 Da |
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| Topological Polar Surface Area | 76.100 Ų |
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| Heavy Atom Count | 18 |
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| Formal Charge | 0 |
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| Complexity | 323.000 |
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| Isotope Atom Count | 0 |
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| Defined Atom Stereocenter Count | 2 |
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| Undefined Atom Stereocenter Count | 0 |
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| Defined Bond Stereocenter Count | 0 |
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| Undefined Bond Stereocenter Count | 0 |
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| The total count of all stereochemical bonds | 0 |
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| Covalently-Bonded Unit Count | 1 |
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Safety and Hazards(GHS)
| Pictogram(s) | GHS07 |
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| Signal | Warning |
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| Hazard Statements | H302:Harmful if swallowed |
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| Precautionary Statements | P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P270:Do not eat, drink or smoke when using this product. P330:Rinse mouth. P301+P312:IF SWALLOWED: call a POISON CENTER/doctor/... IF you feel unwell. |
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