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1-methyladenine - 98%, high purity , CAS No.5142-22-3
Basic Description
Synonyms
1-Methyladenine | 5142-22-3 | 1-Methyl-1H-purin-6-amine | 1H-Purin-6-amine, 1-methyl- | Adenine, 1-methyl- | N1-methyladenine | 1-methyl-7H-purin-6-imine | 1-Methyl-1H-purin-6-ylamine | 98K2TG3E3W | 6H-Purin-6-imine, 1,9-dihydro-1-methyl- | CHEBI:18083 | NSC70896 | NSC-70896 | 1-M
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
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
Pyrimidines and pyrimidine derivatives Imidolactams Imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Purine - Imidolactam - Pyrimidine - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen 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
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.
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
1-methyl-7H-purin-6-imine
INCHI
InChI=1S/C6H7N5/c1-11-3-10-6-4(5(11)7)8-2-9-6/h2-3,7H,1H3,(H,8,9)
InChIKey
SATCOUWSAZBIJO-UHFFFAOYSA-N
Smiles
CN1C=NC2=C(C1=N)NC=N2
Isomeric SMILES
CN1C=NC2=C(C1=N)NC=N2
Molecular Weight
149.15
Reaxy-Rn
610034
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=610034&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
1.807
Flash Point(°C)
99ºC
Melt Point(°C)
> 300ºC
Molecular Weight
149.150 g/mol
XLogP3
-0.200
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
149.07 Da
Monoisotopic Mass
149.07 Da
Topological Polar Surface Area
68.100 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
211.000
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
Citations of This Product
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1 Citations