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6-Chloro-2，3，4，9-tetrahydro-1H-pyrido[3，4-b]indole hydrochloride - ≥97%, high purity , CAS No.23046-68-6

COA

Grade & Purity:

≥97%

Cas Number: 23046-68-6
Molecular Weight: 206.67
PubChem CID: 3159695

In stock

Item Number

C708584

Grouped product items
SKU	Size	Availability	Price	Qty
C708584-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$315.90
C708584-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$522.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Indoles and derivatives
    - Subclass Pyridoindoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	Pyridoindoles
Intermediate Tree Nodes	Not available
Direct Parent	Beta carbolines
Alternative Parents	3-alkylindoles Aralkylamines Benzenoids Aryl chlorides Pyrroles Heteroaromatic compounds Dialkylamines Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Beta-carboline - 3-alkylindole - Indole - Aralkylamine - Aryl chloride - Aryl halide - Benzenoid - Pyrrole - Heteroaromatic compound - Secondary amine - Secondary aliphatic amine - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as beta carbolines. These are compounds containing a 9H-pyrido[3,4-b]indole moiety.
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	6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
INCHI	InChI=1S/C11H11ClN2/c12-7-1-2-10-9(5-7)8-3-4-13-6-11(8)14-10/h1-2,5,13-14H,3-4,6H2
InChIKey	SXHJWBRJNQZWBI-UHFFFAOYSA-N
Smiles	C1CNCC2=C1C3=C(N2)C=CC(=C3)Cl
Isomeric SMILES	C1CNCC2=C1C3=C(N2)C=CC(=C3)Cl
PubChem CID	3159695
Molecular Weight	206.67

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	206.670 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	206.061 Da
Monoisotopic Mass	206.061 Da
Topological Polar Surface Area	27.800 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	221.000
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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