Skip to the beginning of the images gallery

N-Benzyl-2-chloro-9-isopropyl-9H-purin-6-amine - ≥95%, high purity , CAS No.186692-41-1

COA

Grade & Purity:

≥95%

Cas Number: 186692-41-1
Molecular Weight: 301.78
PubChem CID: 10733091

In stock

Item Number

N724997

Grouped product items
SKU	Size	Availability	Price
N724997-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$399.90
N724997-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$667.90
N724997-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,484.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Imidazopyrimidines
    - Subclass Purines and purine derivatives
      - Level5 6-aminopurines
        Level6 6-alkylaminopurines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Imidazopyrimidines
Subclass	Purines and purine derivatives
Intermediate Tree Nodes	6-aminopurines
Direct Parent	6-alkylaminopurines
Alternative Parents	Benzylamines Aminopyrimidines and derivatives 2-halopyrimidines N-substituted imidazoles Imidolactams Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organochlorides Hydrocarbon derivatives Amines
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	6-alkylaminopurine - Benzylamine - Aminopyrimidine - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyrimidine - N-substituted imidazole - Heteroaromatic compound - Azole - Imidazole - Azacycle - Organonitrogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 6-alkylaminopurines. These are compounds that contain an alkylamine group attached at the 6-position of a purine. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
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	N-benzyl-2-chloro-9-propan-2-ylpurin-6-amine
INCHI	InChI=1S/C15H16ClN5/c1-10(2)21-9-18-12-13(19-15(16)20-14(12)21)17-8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,17,19,20)
InChIKey	NSQQTIIWZCVMRW-UHFFFAOYSA-N
Smiles	CC(C)N1C=NC2=C(N=C(N=C21)Cl)NCC3=CC=CC=C3
Isomeric SMILES	CC(C)N1C=NC2=C(N=C(N=C21)Cl)NCC3=CC=CC=C3
PubChem CID	10733091
Molecular Weight	301.78

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	301.770 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	301.109 Da
Monoisotopic Mass	301.109 Da
Topological Polar Surface Area	55.600 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	334.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration