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Basic Description
| Synonyms | 3-Pyrrolidinone hydrochloride | 3760-52-9 | Pyrrolidin-3-one hydrochloride | 3-Pyrrolidinone HCl | 3-Pyrrolidinone, hydrochloride | Pyrrolidin-3-one HCl | MFCD02183811 | pyrrolidin-3-one;hydrochloride | Pyrrolidin-3-one, HCl | 3-PYRROLIDONE HCL | 3-Pyrrolidinonehydrochloride |
|---|---|
| Specifications & Purity | ≥97% |
| Storage Temp | Store at 2-8°C,Argon charged |
| Shipped In |
Wet ice This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrrolidines
- Subclass Pyrrolidones
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Class
Pyrrolidines
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Superclass
Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrrolidines |
| Subclass | Pyrrolidones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrrolidine-3-ones |
| Alternative Parents | Cyclic ketones Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | 3-pyrrolidone - Ketone - Cyclic ketone - Secondary aliphatic amine - Secondary amine - Azacycle - Organic oxide - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrochloride - Carbonyl group - Hydrocarbon derivative - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrrolidine-3-ones. These are pyrrolidines which bear a C=O group at position 3 of the pyrrolidine ring. |
| External Descriptors | Not available |
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Names and Identifiers
| Pubchem Sid | 504768819 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504768819 |
| IUPAC Name | pyrrolidin-3-one;hydrochloride |
| INCHI | InChI=1S/C4H7NO.ClH/c6-4-1-2-5-3-4;/h5H,1-3H2;1H |
| InChIKey | DPSTYIOIVSHZRI-UHFFFAOYSA-N |
| Smiles | C1CNCC1=O.Cl |
| Isomeric SMILES | C1CNCC1=O.Cl |
| PubChem CID | 19106857 |
| Molecular Weight | 121.56 |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 J1910108 |
Certificate of Analysis | Jul 07, 2023 | P176320 |
| J2229472 |
Certificate of Analysis | Sep 09, 2022 | P176320 |
| K2422114 |
Certificate of Analysis | Sep 09, 2022 | P176320 |
| J2229475 |
Certificate of Analysis | Sep 09, 2022 | P176320 |
| J2229479 |
Certificate of Analysis | Sep 09, 2022 | P176320 |
| J2229474 |
Certificate of Analysis | Sep 09, 2022 | P176320 |
Chemical and Physical Properties
| Molecular Weight | 121.560 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 121.029 Da |
| Monoisotopic Mass | 121.029 Da |
| Topological Polar Surface Area | 29.100 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 69.900 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
Solution Calculators
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