(E)-4-Aminocinnamic Acid - ≥98% , CAS No.17570-30-8

CAS: 17570-30-8 Cat. No.: E305194 Fórmula: C₉H₉NO₂ Peso molecular: 163.18

GRADE & PURITY ≥98%

Synonyms

4-Aminocinnamic acid|2393-18-2|p-Aminocinnamic acid|17570-30-8|3-(4-Aminophenyl)acrylic Acid|(E)-3-(4-aminophenyl)acrylic acid|2-Propenoic acid, 3-(4-aminophenyl)-|2-Propenoic acid, 3-(4-aminophenyl)-, (2E)-|(E)-3-(4-aminophenyl)prop-2-enoic acid|NSC 1780

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinónimos

4-Aminocinnamic acid | 2393-18-2 | p-Aminocinnamic acid | 17570-30-8 | 3-(4-Aminophenyl)acrylic Acid | (E)-3-(4-aminophenyl)acrylic acid | 2-Propenoic acid, 3-(4-aminophenyl)- | 2-Propenoic acid, 3-(4-aminophenyl)-, (2E)- | (E)-3-(4-aminophenyl)prop-2-enoic acid | NSC 1780

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature,Desiccated

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 528753145
• Sorrisos canónicos: C1=CC(=CC=C1C=CC(=O)O)N
• IUPAC Name: (E)-3-(4-aminophenyl)prop-2-enoic acid
• InChIKey: JOLPMPPNHIACPD-ZZXKWVIFSA-N
• INCHI: 1S/C9H9NO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,10H2,(H,11,12)/b6-3+
• SMILES isoméricas: C1=CC(=CC=C1/C=C/C(=O)O)N
• Peso molecular: 163.18
• Reaxy-Rn: 1817838
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1817838&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Cinnamic acids and derivatives
      • Subclass Cinnamic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Cinnamic acids and derivatives
• Subclass: Cinnamic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamic acids
• Alternative Parents: Styrenes Aniline and substituted anilines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamic acid - Aniline or substituted anilines - Styrene - Monocyclic benzene moiety - Benzenoid - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Organooxygen compound - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
• 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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 163.170 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 163.063 Da
• Monoisotopic Mass: 163.063 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 181.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1