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Propyzamide Solution in Methanol - 100μg/mL in Methanol, uncertainty 3%, high purity , CAS No.23950-58-5
Basic Description
Synonyms
Propyzamide | 23950-58-5 | PRONAMIDE | 3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide | 3,5-Dichloro-N-(1,1-dimethylpropynyl)benzamide | KERB | Pronamid | 3,5-Dichloro-N-(1,1-dimethyl-2-propynyl)benzamide | Pronamide (Kerb) | KERB 50W | RH 315 | 3,5-Dichloro-N-(1,1-dimethylpr
Specifications & Purity
100μg/mL in Methanol, uncertainty 3%
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
3-halobenzoic acids and derivatives
Alternative Parents
Benzamides Dichlorobenzenes Benzoyl derivatives Aryl chlorides Secondary carboxylic acid amides Acetylides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - Benzoyl - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carboxamide group - Secondary carboxylic acid amide - Acetylide - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Amide herbicides
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(Human)
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
3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide
INCHI
InChI=1S/C12H11Cl2NO/c1-4-12(2,3)15-11(16)8-5-9(13)7-10(14)6-8/h1,5-7H,2-3H3,(H,15,16)
InChIKey
PHNUZKMIPFFYSO-UHFFFAOYSA-N
Smiles
CC(C)(C#C)NC(=O)C1=CC(=CC(=C1)Cl)Cl
Isomeric SMILES
CC(C)(C#C)NC(=O)C1=CC(=CC(=C1)Cl)Cl
UN Number
3077
Packing Group
III
Molecular Weight
256.13
Beilstein
882391
Reaxy-Rn
882391
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=882391&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
256.120 g/mol
XLogP3
3.200
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
3
Exact Mass
255.022 Da
Monoisotopic Mass
255.022 Da
Topological Polar Surface Area
29.100 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
308.000
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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