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1-(2-Cyanoethyl)-2-ethyl-4-methylimidazole (contains 5-methyl isomer) - ≥70.0%(GC), high purity , CAS No.23996-25-0

1 Citations

COA

Grade & Purity:

≥70%(GC)

Cas Number: 23996-25-0
Molecular Weight: 163.22
Beilstein Registry Number: 23(5)5,211
PubChem CID: 90327
PubChem SID: 488186615

In stock

Item Number

C133754

Grouped product items
SKU	Size	Availability	Price
C133754-5g	5g	3	$9.90
C133754-25g	25g	5	$26.90
C133754-100g	100g	2	$95.90

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Five-Membered Heterocyclic Compounds (2064) Imidazoles (222)

Basic Description

Synonyms	3-(2-Ethyl-4-methyl-1H-imidazol-1-yl)propanenitrile;3-(2-Ethyl-4-methyl-1H-imidazol-1-yl)propanenitrile \| AKOS015960592 \| H11284 \| FT-0638376 \| DTXSID6066949 \| 1-Cyanomethyl-2-ethyl-4-methylimidazole \| 1H-Imidazole-1-propanenitrile, 2-ethyl-4-methyl- \| 2-
Specifications & Purity	≥70%(GC)
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Imidazoles
      - Level5 Substituted imidazoles
        Level6 Trisubstituted imidazoles
        Level7 1,2,4-trisubstituted imidazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Imidazoles
Intermediate Tree Nodes	Substituted imidazoles - Trisubstituted imidazoles
Direct Parent	1,2,4-trisubstituted imidazoles
Alternative Parents	N-substituted imidazoles Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	1,2,4-trisubstituted-imidazole - 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 1,2,4-trisubstituted imidazoles. These are imidazoles in which the imidazole ring is substituted at positions 1, 2, and 3.
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

Names and Identifiers

Pubchem Sid	488186615
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488186615
IUPAC Name	3-(2-ethyl-4-methylimidazol-1-yl)propanenitrile
INCHI	InChI=1S/C9H13N3/c1-3-9-11-8(2)7-12(9)6-4-5-10/h7H,3-4,6H2,1-2H3
InChIKey	UIDDPPKZYZTEGS-UHFFFAOYSA-N
Smiles	CCC1=NC(=CN1CCC#N)C
Isomeric SMILES	CCC1=NC(=CN1CCC#N)C
WGK Germany	3
UN Number	3276
Packing Group	III
Molecular Weight	163.22
Beilstein	23(5)5,211
Reaxy-Rn	639180
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=639180&ln=

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

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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12 results found

Lot Number	Certificate Type	Date	Item
E2315658	Certificate of Analysis	Apr 18, 2025	C133754
E2315775	Certificate of Analysis	Feb 07, 2025	C133754
E2315671	Certificate of Analysis	Feb 07, 2025	C133754
E2315662	Certificate of Analysis	Feb 07, 2025	C133754
E2315769	Certificate of Analysis	Feb 07, 2025	C133754
C2223209	Certificate of Analysis	Jan 04, 2024	C133754
C2223224	Certificate of Analysis	Jan 04, 2024	C133754
A2007087	Certificate of Analysis	Aug 07, 2023	C133754
I1904033	Certificate of Analysis	Apr 14, 2023	C133754
D2115254	Certificate of Analysis	Jan 17, 2023	C133754
D2115253	Certificate of Analysis	Jan 17, 2023	C133754
C2223217	Certificate of Analysis	Feb 14, 2022	C133754

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Chemical and Physical Properties

Sensitivity	Air sensitive
Refractive Index	1.51
Flash Point(°F)	>230 °F
Flash Point(°C)	>110 °C
Boil Point(°C)	245-246 °C
Melt Point(°C)	11 °C
Molecular Weight	163.220 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	163.111 Da
Monoisotopic Mass	163.111 Da
Topological Polar Surface Area	41.600 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	181.000
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

Citations of This Product

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