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1,2-Dimethyl-1H-indole-3-carbonitrile - 98%, high purity , CAS No.51072-84-5

COA

Grade & Purity:

≥98%

Cas Number: 51072-84-5
Molecular Weight: 170.2
PubChem CID: 683756

In stock

Item Number

D184872

Grouped product items
SKU	Size	Availability	Price	Qty
D184872-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$78.90
D184872-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$351.90

Basic Description

Synonyms	1,2-Dimethyl-1H-indole-3-carbonitrile \| 51072-84-5 \| 1,2-dimethylindole-3-carbonitrile \| 3-cyano-1,2-dimethylindole \| MLS000768949 \| Bis-(2-chloroethyl)methylamine \| SCHEMBL1161411 \| CHEMBL1332438 \| DTXSID70350584 \| HMS2779O10 \| ZDA76473 \| MFCD00460785 \| STK731481 \| AKOS001710981 \|
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Indoles and derivatives
    - Subclass N-alkylindoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	N-alkylindoles
Intermediate Tree Nodes	Not available
Direct Parent	N-alkylindoles
Alternative Parents	Indoles N-methylpyrroles Benzenoids Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	N-alkylindole - Indole - Benzenoid - Substituted pyrrole - N-methylpyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as n-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 1-position.
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	1,2-dimethylindole-3-carbonitrile
INCHI	InChI=1S/C11H10N2/c1-8-10(7-12)9-5-3-4-6-11(9)13(8)2/h3-6H,1-2H3
InChIKey	QWHVKHABWPGMGT-UHFFFAOYSA-N
Smiles	CC1=C(C2=CC=CC=C2N1C)C#N
Isomeric SMILES	CC1=C(C2=CC=CC=C2N1C)C#N
Molecular Weight	170.2
Reaxy-Rn	474888
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=474888&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	170.210 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	170.084 Da
Monoisotopic Mass	170.084 Da
Topological Polar Surface Area	28.700 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	240.000
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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