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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 Molecular Weight: 135.17 Beilstein Registry Number: 23(5)5,48 EC Number: 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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AVAILABLE TO ORDER

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 Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

🧪

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

Synonyms

Specifications & Purity

≥98%(GC)(T)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)(T)

Names and Identifiers

Canonical Smiles	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
Isomeric SMILES	CC1=NC=CN1CCC#N
Molecular Weight	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
  - Class Azoles
    - Subclass Imidazoles
      - Level5 Substituted imidazoles
        Level6 N-substituted imidazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	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
Description	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

3D Structure

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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	Date	Item
L2122433	Certificate of Analysis	Oct 11, 2025	C153698

Chemical and Physical Properties

Solubility	Soluble in water; Soluble in Methanol
Melt Point(°C)	57 °C
Molecular Weight	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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