Ethyl 2-cyanoethanecarboximidate , CAS No.42003-88-3

CAS: 42003-88-3 Cat. No.: E1359044 Fórmula: C5H8N2O Peso molecular: 112.132 Número CE: 839-139-4 PubChem CID: 256188
Disponível para encomenda
Storage
Room temperature
Shipped In
Normal
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Size
Alemanha (EU)
USA*
Price
Qty
1mg
E1359044-1mg
Sob encomenda · 8–12 semanas
241,14€
5mg
E1359044-5mg
Sob encomenda · 8–12 semanas
254,16€
10mg
E1359044-10mg
Sob encomenda · 8–12 semanas
279,33€
500mg
E1359044-500mg
Sob encomenda · 8–12 semanas
503,20€
1g
E1359044-1g
Sob encomenda · 8–12 semanas
819,06€
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Condições de armazenamento de armazenamento
Room temperature
Enviado em
Normal
Nomes e identificadores
Sorrisos canónicosCCOC(=N)CC#N
IUPAC Nameethyl 2-cyanoethanimidate
InChIKeyCJTDBBPQNDKTLR-UHFFFAOYSA-N
INCHI1S/C5H8N2O/c1-2-8-5(7)3-4-6/h7H,2-3H2,1H3
SMILES isoméricas CCOC(=N)CC#N
PubChem CID 256188
Peso molecular 112.132

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.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClasseCarboximidic acids and derivatives
SubclassImidoesters
Intermediate Tree Nodes Not available
Direct ParentImidoesters
Alternative Parents Nitriles  Organopnictogen compounds  Organooxygen compounds  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Imido ester - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic acyclic compound
DescriçãoThis 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
Estrutura 3D
Modelo de Estrutura Química Interativa





Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriedades químicas e físicas
Peso molecular112.130 g/mol
XLogP30.500
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass112.064 Da
Monoisotopic Mass112.064 Da
Topological Polar Surface Area56.900 Ų
Heavy Atom Count8
Formal Charge0
Complexity122.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluções
Revisões

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