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(S)-Benzyl 4-isopropyl-2,5-dioxooxazolidine-3-carboxylate - 95%, high purity , CAS No.158257-41-1
Basic Description
Synonyms | benzyl (4S)-2,5-dioxo-4-(propan-2-yl)-1,3-oxazolidine-3-carboxylate | (S)-4-(1-Methylethyl)-2,5-dioxo-3-oxazolidinecarboxylic Acid Phenylmethyl Ester;N-Cbz-L-valine N-Carboxyanhydride | J-009486 | SCHEMBL5166676 | AS-3214 | 3-Oxazolidinecarboxylic acid, 4 |
Specifications & Purity | ≥95% |
Storage Temp | Store at 2-8°C,Protected from light,Argon charged |
Shipped In | Wet ice |
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Names and Identifiers
IUPAC Name | benzyl (4S)-2,5-dioxo-4-propan-2-yl-1,3-oxazolidine-3-carboxylate |
INCHI | InChI=1S/C14H15NO5/c1-9(2)11-12(16)20-14(18)15(11)13(17)19-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t11-/m0/s1 |
InChi Key | PBXWOGVKYLPBQY-NSHDSACASA-N |
Canonical SMILES | CC(C)C1C(=O)OC(=O)N1C(=O)OCC2=CC=CC=C2 |
Isomeric SMILES | CC(C)[C@H]1C(=O)OC(=O)N1C(=O)OCC2=CC=CC=C2 |
PubChem CID | 11065729 |
Molecular Weight | 277.27 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight | 277.270 g/mol |
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XLogP3 | 2.800 |
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Hydrogen Bond Donor Count | 0 |
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Hydrogen Bond Acceptor Count | 5 |
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Rotatable Bond Count | 4 |
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Exact Mass | 277.095 Da |
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Monoisotopic Mass | 277.095 Da |
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Topological Polar Surface Area | 72.900 Ų |
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Heavy Atom Count | 20 |
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Formal Charge | 0 |
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Complexity | 400.000 |
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Isotope Atom Count | 0 |
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Defined Atom Stereocenter Count | 1 |
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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 |
Signal | Warning |
Hazard Statements | H319:Causes serious eye irritation H317:May cause an allergic skin reaction |
Precautionary Statements | P261:Avoid breathing dust/fume/gas/mist/vapors/spray. 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 ... P272:Contaminated work clothing should not be allowed out of the workplace. P333+P313:IF SKIN irritation or rash occurs: Get medical advice/attention. P362+P364:Take off contaminated clothing and wash it before reuse. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P337+P317:If eye irritation persists: Get medical help. |
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