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tert-butyl 3-nitropyrrolidine-1-carboxylate - ≥97% , CAS No.1309581-43-8
Disponible para pedir
GRADE & PURITY ≥97%
Storage
Store at 2-8°C
Shipped In
Wet ice
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Why this grade
≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Store at 2-8°C Ships Wet ice 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
≥97%
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Pureza
≥97%
Nombres e identificadores
| Sonrisas canónicas | CC(C)(C)OC(=O)N1CCC(C1)[N+](=O)[O-] |
|---|---|
| IUPAC Name | tert-butyl 3-nitropyrrolidine-1-carboxylate |
| InChIKey | QDLAHUFDHRJWOE-UHFFFAOYSA-N |
| INCHI | 1S/C9H16N2O4/c1-9(2,3)15-8(12)10-5-4-7(6-10)11(13)14/h7H,4-6H2,1-3H3 |
| Isómeros SMILES | CC(C)(C)OC(=O)N1CCC(C1)[N+](=O)[O-] |
| PubChem CID | 56973578 |
| Peso molecular | 216.23 |
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 Pyrrolidines
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Pyrrolidines |
| Subclass | Pyrrolidine carboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrrolidine carboxylic acids |
| Alternative Parents | Carbamate esters Tertiary amines C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Pyrrolidine carboxylic acid - Carbamic acid ester - C-nitro compound - Tertiary amine - Organic nitro compound - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Amine - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic cation - Aliphatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four 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 | 216.230 g/mol |
|---|---|
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 216.111 Da |
| Monoisotopic Mass | 216.111 Da |
| Topological Polar Surface Area | 75.400 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 266.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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