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Ethyl 2-cyanoethanecarboximidate , CAS No.42003-88-3
Disponibile su ordine
Storage
Room temperature
Shipped In
Normal
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Why this grade
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Normal 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
Condizioni di conservazione di stoccaggio
Room temperature
Spedito in
Normal
Nomi e identificatori
| Sorrisi canonici | CCOC(=N)CC#N |
|---|---|
| IUPAC Name | ethyl 2-cyanoethanimidate |
| InChIKey | CJTDBBPQNDKTLR-UHFFFAOYSA-N |
| INCHI | 1S/C5H8N2O/c1-2-8-5(7)3-4-6/h7H,2-3H2,1H3 |
| Isomeri SMILES | CCOC(=N)CC#N |
| PubChem CID | 256188 |
| Peso molecolare | 112.132 |
Documentazione
📋 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 Organic acids and derivatives
- Classe Carboximidic acids and derivatives
- Subclass Imidoesters
- Classe Carboximidic acids and derivatives
- Superclass Organic acids and derivatives
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Classe | Carboximidic acids and derivatives |
| Subclass | Imidoesters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Imidoesters |
| Alternative Parents | Nitriles Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Imido ester - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic acyclic compound |
| Descrizione | This compound belongs to the class of organic compounds known as imidoesters. These are organic ester derivatives of imidic acid. They have the general structure ROC(CR')=NR\", where R=organyl group, R'-R\"= H or organyl group. |
| External Descriptors | Not available |
Struttura 3D
Modello di struttura chimica interattiva
Certificati (CoA, COO, BSE/TSE e tabella di analisi)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Proprietà chimiche e fisiche
| Peso molecolare | 112.130 g/mol |
|---|---|
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 112.064 Da |
| Monoisotopic Mass | 112.064 Da |
| Topological Polar Surface Area | 56.900 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 122.000 |
| 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 |
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