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4,4-dimethylpyrrolidine-3-carboxylic acid - 97%, high purity , CAS No.261896-35-9
Basic Description
| Synonyms | 添加别名-英文： |
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| Specifications & Purity | ≥97% |
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| Storage Temp | Store at 2-8°C |
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| Shipped In | Wet ice |
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Names and Identifiers
| IUPAC Name | 4,4-dimethylpyrrolidine-3-carboxylic acid |
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| INCHI | InChI=1S/C7H13NO2/c1-7(2)4-8-3-5(7)6(9)10/h5,8H,3-4H2,1-2H3,(H,9,10) |
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| InChi Key | FWOHOVIXBANHEB-UHFFFAOYSA-N |
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| Canonical SMILES | CC1(CNCC1C(=O)O)C |
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| Isomeric SMILES | CC1(CNCC1C(=O)O)C |
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| Molecular Weight | 143.18 |
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| Reaxy-Rn | 24330838 |
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| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24330838&ln= |
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Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
| Molecular Weight | 143.180 g/mol |
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| XLogP3 | -2.000 |
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| Hydrogen Bond Donor Count | 2 |
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| Hydrogen Bond Acceptor Count | 3 |
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| Rotatable Bond Count | 1 |
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| Exact Mass | 143.095 Da |
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| Monoisotopic Mass | 143.095 Da |
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| Topological Polar Surface Area | 49.300 Ų |
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| Heavy Atom Count | 10 |
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| Formal Charge | 0 |
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| Complexity | 154.000 |
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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 H335:May cause respiratory irritation |
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| 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. |
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| Reaxy-Rn | 24330838 |
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| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24330838&ln= |
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Specifications
| Purity(HPLC area) | 97-100（%） |
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| LC-MS for identification | Conforms |
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| Proton NMR spectrum | Conforms to Structure |
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