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Tetrahydro-4-(1-pyrrolidinyl)-2H-pyran-4-carbonitrile - ≥95% , CAS No.112799-20-9
Disponible para pedir
GRADE & PURITY ≥95%
Storage
Room temperature
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Why this grade
≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Room temperature
Pureza
≥95%
Nombres e identificadores
| Sonrisas canónicas | C1CCN(C1)C2(CCOCC2)C#N |
|---|---|
| IUPAC Name | 4-pyrrolidin-1-yloxane-4-carbonitrile |
| InChIKey | HCBNNXSNPDALJJ-UHFFFAOYSA-N |
| INCHI | 1S/C10H16N2O/c11-9-10(3-7-13-8-4-10)12-5-1-2-6-12/h1-8H2 |
| Isómeros SMILES | C1CCN(C1)C2(CCOCC2)C#N |
| PubChem CID | 13759790 |
| Peso molecular | 180.24 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
- Clase Oxanes
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Oxanes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Oxanes |
| Alternative Parents | N-alkylpyrrolidines Trialkylamines Alpha-aminonitriles Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Oxane - N-alkylpyrrolidine - Pyrrolidine - Tertiary amine - Alpha-aminonitrile - Tertiary aliphatic amine - Dialkyl ether - Ether - Carbonitrile - Nitrile - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Cyanide - Hydrocarbon derivative - Amine - Aliphatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as oxanes. These are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms. |
| External Descriptors | Not available |
Estructura 3D
Modelo de Estructura Química Interactiva
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
| Peso molecular | 180.250 g/mol |
|---|---|
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 180.126 Da |
| Monoisotopic Mass | 180.126 Da |
| Topological Polar Surface Area | 36.300 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 218.000 |
| 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 |
Calculadoras de soluciones
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