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3-Methyl-1H-indole-5-carbonitrile - ≥97%, high purity , CAS No.3613-06-7

COA

Grade & Purity:

≥97%

Cas Number: 3613-06-7
Molecular Weight: 156.18
PubChem CID: 57475129

In stock

Item Number

M734205

Grouped product items
SKU	Size	Availability	Price
M734205-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$282.90
M734205-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$423.90
M734205-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,288.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Indoles and derivatives
    - Subclass Indoles
      - Level5 3-alkylindoles
        Level6 3-methylindoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	Indoles
Intermediate Tree Nodes	3-alkylindoles
Direct Parent	3-methylindoles
Alternative Parents	Substituted pyrroles Benzenoids Heteroaromatic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	3-methylindole - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 3-methylindoles. These are aromatic heterocyclic compounds that contain an indole moiety substituted at the 3-position with a methyl group.
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	3-methyl-1H-indole-5-carbonitrile
INCHI	InChI=1S/C10H8N2/c1-7-6-12-10-3-2-8(5-11)4-9(7)10/h2-4,6,12H,1H3
InChIKey	LENPHOSQASNAFC-UHFFFAOYSA-N
Smiles	CC1=CNC2=C1C=C(C=C2)C#N
Isomeric SMILES	CC1=CNC2=C1C=C(C=C2)C#N
PubChem CID	57475129
Molecular Weight	156.18

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	156.180 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	156.069 Da
Monoisotopic Mass	156.069 Da
Topological Polar Surface Area	39.600 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	215.000
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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