Propyzamide Standard - 1000ug/ml in Purge and Trap Methanol , CAS No.23950-58-5

CAS: 23950-58-5 Cat. No.: P128277 Formula: C₁₂H₁₁C_l2NO Molecular Weight: 256.13 Beilstein Registry Number: 882391 EC Number: 245-951-4

GRADE & PURITY 1000ug/ml in Purge and Trap Methanol

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Pesticides Single Component Standards

Specifications

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

1000ug/ml in Purge and Trap Methanol

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: CC(C)(C#C)NC(=O)C1=CC(=CC(=C1)Cl)Cl
• IUPAC Name: 3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide
• InChIKey: PHNUZKMIPFFYSO-UHFFFAOYSA-N
• 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)
• 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=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Halobenzoic acids and derivatives
          • Level6 3-halobenzoic acids and derivatives

• 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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Allium cepa (293 Activities)

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Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 Activities)

Discover Target: Nr1i2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Malva sylvestris (32 Activities)

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Cyperus rotundus (46 Activities)

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Mechanisms of Action

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