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tert-butyl 3-(2-oxoethyl)piperidine-1-carboxylate - 97%, high purity , CAS No.372159-76-7
Basic Description
| Synonyms | EN300-207222 | PS-15517 | CS-0080320 | IOZGGOSCHPGERX-UHFFFAOYSA-N | 3-(2-OXO-ETHYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER | tert-Butyl 3-(2-oxoethyl)piperidine-1-carboxylate | FT-0763889 | SCHEMBL1849747 | XPA15976 | 1-Boc-3-(2-Oxoethyl)Piperidin |
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| Specifications & Purity | ≥97% |
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| Shipped In | Normal |
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Names and Identifiers
| IUPAC Name | tert-butyl 3-(2-oxoethyl)piperidine-1-carboxylate |
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| INCHI | InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-7-4-5-10(9-13)6-8-14/h8,10H,4-7,9H2,1-3H3 |
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| InChi Key | IOZGGOSCHPGERX-UHFFFAOYSA-N |
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| Canonical SMILES | CC(C)(C)OC(=O)N1CCCC(C1)CC=O |
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| Isomeric SMILES | CC(C)(C)OC(=O)N1CCCC(C1)CC=O |
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| Alternate CAS | 372159-76-7 |
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| PubChem CID | 22258947 |
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| Molecular Weight | 227.3 |
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Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
| Molecular Weight | 227.300 g/mol |
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| XLogP3 | 1.300 |
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| Hydrogen Bond Donor Count | 0 |
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| Hydrogen Bond Acceptor Count | 3 |
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| Rotatable Bond Count | 4 |
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| Exact Mass | 227.152 Da |
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| Monoisotopic Mass | 227.152 Da |
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| Topological Polar Surface Area | 46.600 Ų |
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| Heavy Atom Count | 16 |
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| Formal Charge | 0 |
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| Complexity | 257.000 |
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| Isotope Atom Count | 0 |
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| Defined Atom Stereocenter Count | 0 |
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| Undefined Atom Stereocenter Count | 1 |
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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 | H315:Causes skin irritation H319:Causes serious eye irritation H302:Harmful if swallowed |
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| Precautionary Statements | P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P362:Take off contaminated clothing. P270:Do not eat, drink or smoke when using this product. P337+P313:IF eye irritation persists: Get medical advice/attention. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P330:Rinse mouth. P301+P312:IF SWALLOWED: call a POISON CENTER/doctor/... IF you feel unwell. |
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