Allidochlor - analytical standard , CAS No.93-71-0

CAS: 93-71-0 Cat. No.: A114978 分子式: C₈H₁₂ClNO 分子量: 173.64 Beilstein Registry Number: 1761616 EC番号: 202-270-7

GRADE & PURITY Analytical standard

Synonyms

CDAA | F2158-1328 | HSDB 1560 | 2-chloro-N,N-bis(prop-2-enyl)acetamide | Alidochlore | Allidochlor, PESTANAL(R), analytical standard | Caswell No. 284 | SCHEMBL53540 | Alidochlor | ALLIDOCHLOR [HSDB] | CP-6343 | UNII-2E0WF154QR | Q17310226 | EINECS 202-27

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

CDAA | F2158-1328 | HSDB 1560 | 2-chloro-N,N-bis(prop-2-enyl)acetamide | Alidochlore | Allidochlor, PESTANAL(R), analytical standard | Caswell No. 284 | SCHEMBL53540 | Alidochlor | ALLIDOCHLOR [HSDB] | CP-6343 | UNII-2E0WF154QR | Q17310226 | EINECS 202-27

仕様と純度

analytical standard

保管条件

Room temperature

入荷

Normal

等級

分析用標準物質

名前と識別子

• パブケム・シド: 528775431
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/528775431
• カノニカル・スマイル: C=CCN(CC=C)C(=O)CCl
• IUPAC Name: 2-chloro-N,N-bis(prop-2-enyl)acetamide
• InChIKey: MDBGGTQNNUOQRC-UHFFFAOYSA-N
• INCHI: 1S/C8H12ClNO/c1-3-5-10(6-4-2)8(11)7-9/h3-4H,1-2,5-7H2
• 異性体SMILES: C=CCN(CC=C)C(=O)CCl
• WGKドイツ: 3
• UN番号: 2996
• 包装グループ: I
• 分子量: 173.64
• Beilstein: 1761616
• Reaxy-Rn: 1761616
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1761616&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid amides
          • Level6 Tertiary carboxylic acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid amides
• Direct Parent: Tertiary carboxylic acid amides
• Alternative Parents: Chloroacetamides Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Chloroacetamide - Tertiary carboxylic acid amide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as tertiary carboxylic acid amides. These are compounds containing an amide derivative of carboxylic acid, with the general structure RN(R1)C(R2)=O (R1-R2 any atom but H).
• 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

作用メカニズム

化学的性質と物理的性質

• 屈折率: 1.4932
• 引火点（°C）: >100°C
• 融点（°C）: 115-117°C
• 分子量: 173.640 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 173.061 Da
• Monoisotopic Mass: 173.061 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 146.000
• 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