2,3-diaminobenzamide - ≥97% , CAS No.711007-44-2

CAS: 711007-44-2 Cat. No.: D177254 Formule: C₇H₉N₃O Poids moléculaire: 151.17

GRADE & PURITY ≥97%

Synonyms

BCP15225 | DS-11930 | DTXSID50440634 | J-506907 | AKOS006287860 | SB21810 | SCHEMBL21218477 | A855085 | NAWJZCSEYBQUGY-UHFFFAOYSA-N | diaminobenzamide | FT-0761080 | SY033300 | 2,3-diaminobenzamide | 2,3-Diamino-benzamide | BENZAMIDE, 2,3-DIAMINO- | MFCD0

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

BCP15225 | DS-11930 | DTXSID50440634 | J-506907 | AKOS006287860 | SB21810 | SCHEMBL21218477 | A855085 | NAWJZCSEYBQUGY-UHFFFAOYSA-N | diaminobenzamide | FT-0761080 | SY033300 | 2,3-diaminobenzamide | 2,3-Diamino-benzamide | BENZAMIDE, 2,3-DIAMINO- | MFCD0

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C,Protected from light,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

Pubchem Sid

528755261

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528755261

Sourires canoniques

C1=CC(=C(C(=C1)N)N)C(=O)N

IUPAC Name

2,3-diaminobenzamide

InChIKey

NAWJZCSEYBQUGY-UHFFFAOYSA-N

INCHI

1S/C7H9N3O/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,8-9H2,(H2,10,11)

Isomères SMILES

C1=CC(=C(C(=C1)N)N)C(=O)N

Poids moléculaire

151.17

Reaxy-Rn

8763331

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8763331&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Benzamides
• Direct Parent: Anthranilamides
• Alternative Parents: 2-aminobenzamides Benzoyl derivatives Aniline and substituted anilines Vinylogous amides Primary carboxylic acid amides Amino acids and derivatives Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anthranilamide - Aminobenzamide - Aminobenzoic acid or derivatives - 2-aminobenzamide - Benzoyl - Aniline or substituted anilines - Vinylogous amide - Amino acid or derivatives - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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

Propriétés chimiques et physiques

• Sensibilité: light sensitive
• Poids moléculaire: 151.170 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 151.075 Da
• Monoisotopic Mass: 151.075 Da
• Topological Polar Surface Area: 95.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 160.000
• 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