4-Aminobenzamide - ≥98% , CAS No.2835-68-9

CAS: 2835-68-9 Cat. No.: A107276 Summenformel: C₇H₈N₂O Molekulargewicht: 136.15 Beilstein Registry Number: 14(3)1061 EG-Nummer: 220-612-3

GRADE & PURITY ≥98%

Synonyms

FT-0617551 | 4-Aminobenzenecarboxamide | Benzamide, p-amino- | p-Aminobenzamide | HY-W017041 | NCGC00255641-01 | p-Aminobenzoic acid amide | AS-14565 | p-Carbamoylaniline | AC-4411 | ETHANETHIOIC ACID, S-ETHYL ESTER | BP-20138 | 1-(2-chloroethoxy)-2-[2-(2

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

FT-0617551 | 4-Aminobenzenecarboxamide | Benzamide, p-amino- | p-Aminobenzamide | HY-W017041 | NCGC00255641-01 | p-Aminobenzoic acid amide | AS-14565 | p-Carbamoylaniline | AC-4411 | ETHANETHIOIC ACID, S-ETHYL ESTER | BP-20138 | 1-(2-chloroethoxy)-2-[2-(2

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504755022

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755022

Kanonisches Lächeln

C1=CC(=CC=C1C(=O)N)N

IUPAC Name

4-aminobenzamide

InChIKey

QIKYZXDTTPVVAC-UHFFFAOYSA-N

INCHI

1S/C7H8N2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H2,9,10)

Isomere SMILES

C1=CC(=CC=C1C(=O)N)N

WGK Deutschland

1

Molekulargewicht

136.15

Beilstein

14(3)1061

Reaxy-Rn

2079485

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2079485&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Ebene5 Aminobenzoic acids and derivatives
          • Ebene6 Aminobenzamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Aminobenzoic acids and derivatives
• Direct Parent: Aminobenzamides
• Alternative Parents: Benzamides Benzoyl derivatives Aniline and substituted anilines Primary carboxylic acid amides Amino acids and derivatives Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzamide - Benzamide - Benzoyl - Aniline or substituted anilines - Amino acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Amine - Organooxygen compound - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aminobenzamides. These are organic compounds containing a benzamide moiety with an amine group attached to 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

Zugehörige Ziele (menschlich)

PARP1 Tclin Poly [ADP-ribose] polymerase-1 (6206 Activities)

Discover Target: PARP1

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

Zugehörige Ziele (nicht menschlich)

Mus musculus (284745 Activities)

Explore this target

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Slightly soluble in water.
• Empfindlichkeit: Moisture sensitive
• Schmelzpunkt (°C): 183°C
• Molekulargewicht: 136.150 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 136.064 Da
• Monoisotopic Mass: 136.064 Da
• Topological Polar Surface Area: 69.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 128.000
• 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