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(2，3-Dimethyl-1H-indol-5-yl)methanamine - ≥97%, high purity , CAS No.5054-94-4

COA

Grade & Purity:

≥97%

Cas Number: 5054-94-4
Molecular Weight: 174.25
PubChem CID: 730046

In stock

Item Number

M698852

Grouped product items
SKU	Size	Availability	Price
M698852-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$132.90
M698852-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$261.90
M698852-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$847.90

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	Aralkylamines Substituted pyrroles Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	3-methylindole - Aralkylamine - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - 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	(2,3-dimethyl-1H-indol-5-yl)methanamine
INCHI	InChI=1S/C11H14N2/c1-7-8(2)13-11-4-3-9(6-12)5-10(7)11/h3-5,13H,6,12H2,1-2H3
InChIKey	FHUICSFKWZVPSM-UHFFFAOYSA-N
Smiles	CC1=C(NC2=C1C=C(C=C2)CN)C
Isomeric SMILES	CC1=C(NC2=C1C=C(C=C2)CN)C
PubChem CID	730046
Molecular Weight	174.25

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	174.240 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	174.116 Da
Monoisotopic Mass	174.116 Da
Topological Polar Surface Area	41.800 Å²
Heavy Atom Count	13
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

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