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1-(2-Cyanoethyl)-2-methylimidazole - ≥98%(GC)(T) , CAS No.23996-55-6

1-(2-Cyanoethyl)-2-methylimidazole - ≥98%(GC)(T) , CAS No.23996-55-6

CAS: 23996-55-6 Cat. No.: C153698 Peso molecular: 135.17 Beilstein Registry Number: 23(5)5,48 Número EC: 245-976-0

COA

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1-(2-Cyanoethyl)-2-methylimidazole - ≥98%(GC)(T) CAS No(23996-55-6) by Aladdin Scientific

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Disponible para pedir

GRADE & PURITY ≥98%(GC)(T)

Synonyms

EINECS 245-976-0 | STK503253 | 3-(2-methyl-imidazol-1-yl)propionitrile | 2-Methyl-1H-imidazole-1-propiononitrile | H10702 | EINECS 278-340-6 | 6H5TH7QBY8 | BB 0259282 | FT-0691009 | 1-(2-Cyanoethyl)-2-methylimidazole | SESYNEDUKZDRJL-UHFFFAOYSA-N | 2L5TW6

Storage

Room temperature

Shipped In

Normal

Specifications Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Calculadoras de soluciones Reseñas

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Why this grade

≥98%(GC)(T) 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

Sinónimos

Especificaciones y pureza

≥98%(GC)(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)(T)

Nombres e identificadores

Sonrisas canónicas	CC1=NC=CN1CCC#N
IUPAC Name	3-(2-methylimidazol-1-yl)propanenitrile
InChIKey	SESYNEDUKZDRJL-UHFFFAOYSA-N
INCHI	1S/C7H9N3/c1-7-9-4-6-10(7)5-2-3-8/h4,6H,2,5H2,1H3
Isómeros SMILES	CC1=NC=CN1CCC#N
Peso molecular	135.17
Beilstein	23(5)5,48
Reaxy-Rn	607637
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=607637&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ 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

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Clase Azoles
    - Subclass Imidazoles
      - Level5 Substituted imidazoles
        Level6 N-substituted imidazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Clase	Azoles
Subclass	Imidazoles
Intermediate Tree Nodes	Substituted imidazoles
Direct Parent	N-substituted imidazoles
Alternative Parents	Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	N-substituted imidazole - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
Descripción	This compound belongs to the class of organic compounds known as n-substituted imidazoles. These are heterocyclic compounds containing an imidazole ring substituted at position 1.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Estructura 3D

Certificados (CoA, COO, BSE/TSE y tabla de análisis)

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.

1 results found

Lot Number	Certificate Type	Fecha	Articulo
L2122433	Certificate of Analysis	Oct 11, 2025	C153698

Propiedades químicas y físicas

Solubilidad	Soluble in water; Soluble in Methanol
Punto de fusión (°C)	57 °C
Peso molecular	135.170 g/mol
XLogP3	0.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	135.08 Da
Monoisotopic Mass	135.08 Da
Topological Polar Surface Area	41.600 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	146.000
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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