2-Amino-5-chloro-N,3-dimethylbenzamide - ≥98% , CAS No.890707-28-5

CAS: 890707-28-5 Cat. No.: A304840 Molecular Weight: 198.65 EC Number: 618-233-7

GRADE & PURITY ≥98%

Synonyms

SY317109 | AS-63512 | A843059 | J-507933 | AKOS015890452 | DTXSID60648664 | 2-Amino-5-Chloro-N,3-Dimethylbenzamide | 2-amino-5-chloro-N,3-dimethyl-benzamide | FT-0652609 | Benzamide, 2-amino-5-chloro-N,3-dimethyl- | C76993 | EN300-1588146 | SCHEMBL384330

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyms

SY317109 | AS-63512 | A843059 | J-507933 | AKOS015890452 | DTXSID60648664 | 2-Amino-5-Chloro-N, 3-Dimethylbenzamide | 2-amino-5-chloro-N, 3-dimethyl-benzamide | FT-0652609 | Benzamide, 2-amino-5-chloro-N, 3-dimethyl- | C76993 | EN300-1588146 | SCHEMBL384330

Specifications & Purity

≥98%

Storage

Room temperature, Desiccated

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488200756
• Canonical Smiles: CC1=CC(=CC(=C1N)C(=O)NC)Cl
• IUPAC Name: 2-amino-5-chloro-N,3-dimethylbenzamide
• InChIKey: WOBVZGBINMTNKL-UHFFFAOYSA-N
• INCHI: 1S/C9H11ClN2O/c1-5-3-6(10)4-7(8(5)11)9(13)12-2/h3-4H,11H2,1-2H3,(H,12,13)
• Isomeric SMILES: CC1=CC(=CC(=C1N)C(=O)NC)Cl
• Molecular Weight: 198.65
• Reaxy-Rn: 12631830
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12631830&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Benzamides
          • Level6 Anthranilamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Benzamides
• Direct Parent: Anthranilamides
• Alternative Parents: 2-aminobenzamides 3-halobenzoic acids and derivatives m-Toluamides Aminotoluenes Aniline and substituted anilines Benzoyl derivatives Chlorobenzenes Aryl chlorides Vinylogous amides Secondary carboxylic acid amides Amino acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds Primary amines
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzamide - Anthranilamide - Aminobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-aminobenzamide - M-toluamide - Toluamide - Aminotoluene - Aniline or substituted anilines - Benzoyl - Halobenzene - Toluene - Chlorobenzene - Aryl chloride - Aryl halide - Vinylogous amide - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organooxygen compound - Primary amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as anthranilamides. These are aromatic compound containing a benzene carboxamide moiety that carries an amine group at the 2-position of the benzene ring.
• 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Flash Point(°C): 140.5°C
• Boil Point(°C): 308.8°C
• Molecular Weight: 198.650 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 198.056 Da
• Monoisotopic Mass: 198.056 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 198.000
• 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