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4-(aminomethyl)-1,2-dihydropyridin-2-one - 97%, high purity , CAS No.131052-82-9
Basic Description
Synonyms
131052-82-9 | 4-(Aminomethyl)pyridin-2(1H)-one | 4-(aminomethyl)-1,2-dihydropyridin-2-one | 4-(AMINOMETHYL)PYRIDIN-2-OL | 4-(AMINOMETHYL)-2(1H)-PYRIDINONE | 4-(aminomethyl)-1H-pyridin-2-one | MFCD06213657 | SCHEMBL2595424 | SCHEMBL9253968 | CHEMBL4559667 | DTXSID40567920 | ZYO
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Hydropyridines
Intermediate Tree Nodes
Not available
Direct Parent
Pyridinones
Alternative Parents
Dihydropyridines Aralkylamines Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dihydropyridine - Pyridinone - Aralkylamine - Heteroaromatic compound - Lactam - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyridinones. These are compounds containing a pyridine ring, which bears a ketone.
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.
Associated Targets(non-human)
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
4-(aminomethyl)-1H-pyridin-2-one
INCHI
InChI=1S/C6H8N2O/c7-4-5-1-2-8-6(9)3-5/h1-3H,4,7H2,(H,8,9)
InChIKey
ZYOSFZHXYZSRMA-UHFFFAOYSA-N
Smiles
C1=CNC(=O)C=C1CN
Isomeric SMILES
C1=CNC(=O)C=C1CN
Molecular Weight
124.143
Reaxy-Rn
19512468
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19512468&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
124.140 g/mol
XLogP3
-1.400
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
124.064 Da
Monoisotopic Mass
124.064 Da
Topological Polar Surface Area
55.100 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
181.000
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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