N-(4-Carboxyphenyl)succinamic acid - ≥98% , CAS No.76475-62-2

CAS: 76475-62-2 Cat. No.: N340716 Peso molecular: 237.21

GRADE & PURITY ≥98%

Synonyms

BRD-K30217641-001-01-2 | CBKinase1_000202 | SR-01000393446-1 | AKOS001570700 | 4-(3-carboxypropanoylamino)benzoic acid | F0345-1020 | Cambridge id 5122038 | N-(4-Carboxyphenyl)succinamic acid, 96% | Oprea1_699317 | N-(4-Carboxyphenyl)succinamic acid | 4-(

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

BRD-K30217641-001-01-2 | CBKinase1_000202 | SR-01000393446-1 | AKOS001570700 | 4-(3-carboxypropanoylamino)benzoic acid | F0345-1020 | Cambridge id 5122038 | N-(4-Carboxyphenyl)succinamic acid, 96% | Oprea1_699317 | N-(4-Carboxyphenyl)succinamic acid | 4-(

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488191446
• Sonrisas canónicas: C1=CC(=CC=C1C(=O)O)NC(=O)CCC(=O)O
• IUPAC Name: 4-(3-carboxypropanoylamino)benzoic acid
• InChIKey: IOKXKKSBNJCKOY-UHFFFAOYSA-N
• INCHI: 1S/C11H11NO5/c13-9(5-6-10(14)15)12-8-3-1-7(2-4-8)11(16)17/h1-4H,5-6H2,(H,12,13)(H,14,15)(H,16,17)
• Isómeros SMILES: C1=CC(=CC=C1C(=O)O)NC(=O)CCC(=O)O
• WGK Alemania: 3
• Peso molecular: 237.21
• Reaxy-Rn: 3355574
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3355574&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Acylaminobenzoic acid and derivatives
• Alternative Parents: Benzoic acids Anilides N-arylamides Benzoyl derivatives Fatty amides Dicarboxylic acids and derivatives Secondary carboxylic acid amides Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Acylaminobenzoic acid or derivatives - Benzoic acid - Anilide - Benzoyl - N-arylamide - Fatty acyl - Dicarboxylic acid or derivatives - Fatty amide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
• 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

Propiedades químicas y físicas

• Punto de fusión (°C): ca 290° dec.
• Peso molecular: 237.210 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 237.064 Da
• Monoisotopic Mass: 237.064 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 307.000
• 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