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6-chloro-2-hydrazinopurine - ≥95%, high purity , CAS No.5404-88-6
Basic Description
Specifications & Purity
≥95%
Taxonomic Classification
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
2-halopyrimidines Imidolactams Aryl chlorides Imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives Hydrazines and derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Purine - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Imidolactam - Pyrimidine - Azole - Heteroaromatic compound - Imidazole - Azacycle - Organohalogen compound - Organonitrogen compound - Hydrazine derivative - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organochloride - 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
Data sources
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.
Names and Identifiers
IUPAC Name
(2-chloro-7H-purin-6-yl)hydrazine
INCHI
InChI=1S/C5H5ClN6/c6-5-10-3-2(8-1-9-3)4(11-5)12-7/h1H,7H2,(H2,8,9,10,11,12)
InChIKey
QCFNQRYMMJROEN-UHFFFAOYSA-N
Smiles
C1=NC2=C(N1)C(=NC(=N2)Cl)NN
Isomeric SMILES
C1=NC2=C(N1)C(=NC(=N2)Cl)NN
PubChem CID
521485
Molecular Weight
184.59
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
184.590 g/mol
XLogP3
0.300
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
1
Exact Mass
184.026 Da
Monoisotopic Mass
184.026 Da
Topological Polar Surface Area
92.500 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
166.000
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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