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6-Chloro-9-isopropyl-9H-purine - ≥95%, high purity , CAS No.500539-08-2

COA

Grade & Purity:

≥95%

Cas Number: 500539-08-2
Molecular Weight: 196.64
PubChem CID: 414634

In stock

Item Number

C697636

Grouped product items
SKU	Size	Availability	Price
C697636-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$237.90
C697636-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$348.90
C697636-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$764.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Imidazopyrimidines
    - Subclass Purines and purine derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Imidazopyrimidines
Subclass	Purines and purine derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Purines and purine derivatives
Alternative Parents	Halopyrimidines N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Purine - Halopyrimidine - Aryl chloride - Aryl halide - Pyrimidine - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Azacycle - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organohalogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring 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

Names and Identifiers

IUPAC Name	6-chloro-9-propan-2-ylpurine
INCHI	InChI=1S/C8H9ClN4/c1-5(2)13-4-12-6-7(9)10-3-11-8(6)13/h3-5H,1-2H3
InChIKey	RZIIMNOJHLWYNA-UHFFFAOYSA-N
Smiles	CC(C)N1C=NC2=C1N=CN=C2Cl
Isomeric SMILES	CC(C)N1C=NC2=C1N=CN=C2Cl
PubChem CID	414634
Molecular Weight	196.64

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	196.640 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	196.052 Da
Monoisotopic Mass	196.052 Da
Topological Polar Surface Area	43.600 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	187.000
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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