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3-Hydroxypropionamide , CAS No.2651-43-6
an ADH (alcohol dehydrogenase) inhibitor
Basic Description
Synonyms
SB83806 | Z431951940 | MFCD04039564 | 3-hydroxypropanamide | 3-hydroxy-propanamide | DTXSID30399878 | SMGLHFBQMBVRCP-UHFFFAOYSA-N | 3-hydroxypropionamide, AldrichCPR | FT-0670051 | J-016458 | Methylolacetamid | 3-HYDROXYPROPIONAMIDE | 3-Hydroxy-propionami
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Carboxylic acid derivatives
Intermediate Tree Nodes
Carboxylic acid amides
Direct Parent
Primary carboxylic acid amides
Alternative Parents
Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Primary carboxylic acid amide - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as primary carboxylic acid amides. These are compounds comprising primary carboxylic acid amide functional group, with the general structure RC(=O)NH2.
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
3-hydroxypropanamide
INCHI
InChI=1S/C3H7NO2/c4-3(6)1-2-5/h5H,1-2H2,(H2,4,6)
InChIKey
SMGLHFBQMBVRCP-UHFFFAOYSA-N
Smiles
C(CO)C(=O)N
Isomeric SMILES
C(CO)C(=O)N
Molecular Weight
89.09
Reaxy-Rn
1740477
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1740477&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in DMSO, Methanol and Water
Melt Point(°C)
60-62° C
Molecular Weight
89.090 g/mol
XLogP3
-1.600
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
89.0477 Da
Monoisotopic Mass
89.0477 Da
Topological Polar Surface Area
63.300 Ų
Heavy Atom Count
6
Formal Charge
0
Complexity
52.800
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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