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N-(tert-Butoxycarbonyl)-L-pyroglutamic Acid - >98.0%(HPLC)(T), high purity , CAS No.53100-44-0
Basic Description
Synonyms | (S)-1-Boc-5-oxopyrrolidine-2-carboxylic Acid | (S)-5-Oxo-1,2-pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester | N-(tert-Butoxycarbonyl)-L-pyroglutamic Acid | EN300-185979 | 1-(tert-Butyl) hydrogen (S)-5-oxopyrrolidine-1,2-dicarboxylate | M03206 | |
Specifications & Purity | ≥98%(HPLC)(T) |
Storage Temp | Store at -20°C,Argon charged |
Shipped In | Ice chest + Ice pads |
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Names and Identifiers
Pubchem Sid | 504756570 |
Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504756570 |
IUPAC Name | (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid |
INCHI | InChI=1S/C10H15NO5/c1-10(2,3)16-9(15)11-6(8(13)14)4-5-7(11)12/h6H,4-5H2,1-3H3,(H,13,14)/t6-/m0/s1 |
InChi Key | MJLQPFJGZTYCMH-LURJTMIESA-N |
Canonical SMILES | CC(C)(C)OC(=O)N1C(CCC1=O)C(=O)O |
Isomeric SMILES | CC(C)(C)OC(=O)N1[C@@H](CCC1=O)C(=O)O |
WGK Germany | 3 |
PubChem CID | 104412 |
Molecular Weight | 229.23 |
Reaxy-Rn | 5038882 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity | Moisture Sensitive,Heat Sensitive |
Specific Rotation[α] | -34° (C=1,CHCl3) |
Melt Point(°C) | 118-123℃ |
Molecular Weight | 229.230 g/mol |
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XLogP3 | 0.600 |
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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 | 3 |
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Exact Mass | 229.095 Da |
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Monoisotopic Mass | 229.095 Da |
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Topological Polar Surface Area | 83.900 Ų |
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Heavy Atom Count | 16 |
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Formal Charge | 0 |
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Complexity | 331.000 |
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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 | H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation |
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). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. 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. P332+P317:If skin irritation occurs: Get medical help. P319:Get medical help if you feel unwell. |
WGK Germany | 3 |
Reaxy-Rn | 5038882 |
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