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1H-Pyrazolo[3，4-d]pyrimidine-4，6-diamine - ≥95%, high purity , CAS No.5413-80-9

COA

Grade & Purity:

≥95%

Cas Number: 5413-80-9
Molecular Weight: 150.14
PubChem CID: 222233

In stock

Item Number

H696422

Grouped product items
SKU	Size	Availability	Price
H696422-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$244.90
H696422-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$416.90
H696422-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,182.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrazolopyrimidines
    - Subclass Pyrazolo[3,4-d]pyrimidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrazolopyrimidines
Subclass	Pyrazolo[3,4-d]pyrimidines
Intermediate Tree Nodes	Not available
Direct Parent	Pyrazolo[3,4-d]pyrimidines
Alternative Parents	Aminopyrimidines and derivatives Imidolactams Pyrazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrazolo[3,4-d]pyrimidine - Aminopyrimidine - Imidolactam - Pyrimidine - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyrazolo[3,4-d]pyrimidines. These are aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to but and not sharing a nitrogen atom with a pyrimidine 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	1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
INCHI	InChI=1S/C5H6N6/c6-3-2-1-8-11-4(2)10-5(7)9-3/h1H,(H5,6,7,8,9,10,11)
InChIKey	NXSAXOJMBFFHSG-UHFFFAOYSA-N
Smiles	C1=NNC2=NC(=NC(=C21)N)N
Isomeric SMILES	C1=NNC2=NC(=NC(=C21)N)N
Alternate CAS	5413-80-9
PubChem CID	222233
NSC Number	7842
Molecular Weight	150.14

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	150.140 g/mol
XLogP3	-0.500
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	150.065 Da
Monoisotopic Mass	150.065 Da
Topological Polar Surface Area	107.000 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	150.000
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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