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(3R)-(+)-3-(Trifluoroacetamido)pyrrolidine Hydrochloride - 98%, high purity , CAS No.141043-16-5
Basic Description
Synonyms | CS-0063953 | J-007452 | (R)-3-(trifluoro-acetamido)pyrrolidine hydrochloride | A3044 | (R)-2,2,2-Trifluoro-N-(pyrrolidin-3-yl)acetamidehydrochloride | SCHEMBL1878764 | (R)-2,2,2-Trifluoro-N-(pyrrolidin-3-yl)acetamide hydrochloride | (3r)-(+)-3-trifluoroac |
Specifications & Purity | ≥98% |
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Names and Identifiers
Pubchem Sid | 488200904 |
Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488200904 |
IUPAC Name | 2,2,2-trifluoro-N-[(3R)-pyrrolidin-3-yl]acetamide;hydrochloride |
INCHI | InChI=1S/C6H9F3N2O.ClH/c7-6(8,9)5(12)11-4-1-2-10-3-4;/h4,10H,1-3H2,(H,11,12);1H/t4-;/m1./s1 |
InChi Key | CMZSIQCZAFAEDH-PGMHMLKASA-N |
Canonical SMILES | C1CNCC1NC(=O)C(F)(F)F.Cl |
Isomeric SMILES | C1CNC[C@@H]1NC(=O)C(F)(F)F.Cl |
PubChem CID | 42614570 |
Molecular Weight | 218.6 |
Reaxy-Rn | 14403416 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity | Light Sensitive |
Specific Rotation[α] | 27° (C=1,H2O) |
Melt Point(°C) | 235 °C |
Molecular Weight | 218.600 g/mol |
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XLogP3 | |
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Hydrogen Bond Donor Count | 3 |
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Hydrogen Bond Acceptor Count | 5 |
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Rotatable Bond Count | 1 |
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Exact Mass | 218.043 Da |
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Monoisotopic Mass | 218.043 Da |
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Topological Polar Surface Area | 41.100 Ų |
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Heavy Atom Count | 13 |
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Formal Charge | 0 |
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Complexity | 180.000 |
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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 | 2 |
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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. |
Reaxy-Rn | 14403416 |
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