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2-(1-methylimidazol-4-yl)acetonitrile - 97%, high purity , CAS No.41065-00-3

COA

Grade & Purity:

≥97%

Cas Number: 41065-00-3
Molecular Weight: 121.14
EC Number: 860-654-5
PubChem CID: 19417752

In stock

Item Number

A633843

Grouped product items
SKU	Size	Availability	Price	Qty
A633843-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$422.90

Basic Description

Synonyms	E76303 \| 2-(1-METHYLIMIDAZOL-4-YL)ACETONITRILE \| 1-Methyl-4-cyanomethyl-imidazol \| BS-50270 \| EN300-1833242 \| N-Methyl-1H-imidazole-4-acetonitrile \| 2-(1-Methyl-1H-imidazol-4-yl)acetonitrile \| SCHEMBL3671523
Specifications & Purity	≥97%
Shipped In	Normal

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 Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	N-substituted imidazole - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - 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

Names and Identifiers

IUPAC Name	2-(1-methylimidazol-4-yl)acetonitrile
INCHI	InChI=1S/C6H7N3/c1-9-4-6(2-3-7)8-5-9/h4-5H,2H2,1H3
InChIKey	AKRPAXQMAVWPSU-UHFFFAOYSA-N
Smiles	CN1C=C(N=C1)CC#N
Isomeric SMILES	CN1C=C(N=C1)CC#N
Alternate CAS	41065-00-3
PubChem CID	19417752
Molecular Weight	121.14

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	121.140 g/mol
XLogP3	-0.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	121.064 Da
Monoisotopic Mass	121.064 Da
Topological Polar Surface Area	41.600 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	134.000
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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