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

CAS: 711007-44-2 Cat. No.: D177254 Summenformel: C₇H₉N₃O Molekulargewicht: 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

Synonyme

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

Spezifikationen & Reinheit

≥97%

Storage

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

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 528755261
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528755261
• Kanonisches Lächeln: 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)
• Isomere SMILES: C1=CC(=C(C(=C1)N)N)C(=O)N
• Molekulargewicht: 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
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Ebene5 Benzamides
          • Ebene6 Anthranilamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: light sensitive
• Molekulargewicht: 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

Referenzen

1. Nian Liu, Yuqi Zhang, Jiaoyan Huang, Sicong Liu, Taiping Qing, Peng Zhang, Bo Feng.  (2023)  Multifunctional CDs as photoinitiators: Detection and reduction for Cr(VI).  JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY,      [PMID:] [10.1016/j.jiec.2023.09.033]