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9H-Pyrido[3，4-b]indole-3-carbonitrile - ≥95%, high purity , CAS No.83911-48-2

COA

Grade & Purity:

≥95%

Cas Number: 83911-48-2
PubChem CID: 20059982

In stock

Item Number

H729716

Grouped product items
SKU	Size	Availability	Price
H729716-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$263.90
H729716-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$438.90
H729716-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,056.90

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	Indoles Pyridines and derivatives Benzenoids Pyrroles Heteroaromatic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Beta-carboline - Indole - Benzenoid - Pyridine - 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 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	9H-pyrido[3,4-b]indole-3-carbonitrile
INCHI	InChI=1S/C12H7N3/c13-6-8-5-10-9-3-1-2-4-11(9)15-12(10)7-14-8/h1-5,7,15H
InChIKey	RYLDZJANGRBUGW-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C3=C(N2)C=NC(=C3)C#N
Isomeric SMILES	C1=CC=C2C(=C1)C3=C(N2)C=NC(=C3)C#N
Alternate CAS	83911-48-2
PubChem CID	20059982

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	193.200 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	193.064 Da
Monoisotopic Mass	193.064 Da
Topological Polar Surface Area	52.500 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	292.000
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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