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Basic Description
| Synonyms | A18753 | W-106327 | CS-0156106 | A19516 | MFCD00015897 | 1-Phenylpyrrolidine | 1-phenyl-pyrrolidine | EINECS 223-849-0 | Pyrrolidine, 1-phenyl- | D70827 | phenylpyrrolidine | SY316756 | NSC 53425 | FS-4701 | N-(phenyl)pyrrolidine | N-Phenylpyrrolidine | N |
|---|---|
| Specifications & Purity | ≥95% |
| 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 Phenylpyrrolidines
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Class
Pyrrolidines
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Superclass
Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrrolidines |
| Subclass | Phenylpyrrolidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrrolidines |
| Alternative Parents | Dialkylarylamines Aniline and substituted anilines Pyrroles Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 1-phenylpyrrolidine - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Benzenoid - Monocyclic benzene moiety - Pyrrole - Tertiary amine - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. |
| External Descriptors | Not available |
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Associated Targets(Human)
HT-29 (80576 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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MCF7 (126967 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| Pubchem Sid | 504755206 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504755206 |
| IUPAC Name | 1-phenylpyrrolidine |
| INCHI | InChI=1S/C10H13N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-3,6-7H,4-5,8-9H2 |
| InChIKey | VDQQJMHXZCMNMU-UHFFFAOYSA-N |
| Smiles | C1CCN(C1)C2=CC=CC=C2 |
| Isomeric SMILES | C1CCN(C1)C2=CC=CC=C2 |
| PubChem CID | 77726 |
| Molecular Weight | 147.22 |
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 |
|---|---|---|---|
 I2319166 |
Certificate of Analysis | Sep 02, 2023 | P332600 |
| I2319170 |
Certificate of Analysis | Sep 02, 2023 | P332600 |
| I2319171 |
Certificate of Analysis | Sep 02, 2023 | P332600 |
| I2319165 |
Certificate of Analysis | Sep 02, 2023 | P332600 |
| I2319168 |
Certificate of Analysis | Sep 02, 2023 | P332600 |
| I2319172 |
Certificate of Analysis | Sep 02, 2023 | P332600 |
| I2319167 |
Certificate of Analysis | Sep 02, 2023 | P332600 |
| I2319169 |
Certificate of Analysis | Sep 02, 2023 | P332600 |
Chemical and Physical Properties
| Sensitivity | Air sensitive |
|---|---|
| Refractive Index | 1.5820 |
| Boil Point(°C) | 122 °C/14 mmHg |
| Molecular Weight | 147.220 g/mol |
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 147.105 Da |
| Monoisotopic Mass | 147.105 Da |
| Topological Polar Surface Area | 3.200 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 110.000 |
| 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 | 1 |
Solution Calculators
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