2-amino-4-metiltiofeno-3-carboxilato de etilo - ≥98% , CAS No.43088-42-2

CAS: 43088-42-2 Cat. No.: E123210 Peso molecular: 185.25 Beilstein Registry Number: 1366073 Número EC: 674-825-5

GRADE & PURITY ≥98%

Synonyms

GK 00116 | SCHEMBL162443 | Benzo[c]cinnolineN-oxide | 2-amino-4-methyl-thiophene-3-carboxylic acid ethyl ester | 2-Amino-4-methylthiophene-3-carboxylic acid ethyl ester | Trimethylaluminum 2M in Toluene | SB10588 | ETHYL 2-AMINO-4-METHYLTHIOPHENE 3-CARBOX

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

GK 00116 | SCHEMBL162443 | Benzo[c]cinnolineN-oxide | 2-amino-4-methyl-thiophene-3-carboxylic acid ethyl ester | 2-Amino-4-methylthiophene-3-carboxylic acid ethyl ester | Trimethylaluminum 2M in Toluene | SB10588 | ETHYL 2-AMINO-4-METHYLTHIOPHENE 3-CARBOX

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504759088
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759088
• Sonrisas canónicas: CCOC(=O)C1=C(SC=C1C)N
• IUPAC Name: ethyl 2-amino-4-methylthiophene-3-carboxylate
• InChIKey: ILYCZKOBLRJJSW-UHFFFAOYSA-N
• INCHI: 1S/C8H11NO2S/c1-3-11-8(10)6-5(2)4-12-7(6)9/h4H,3,9H2,1-2H3
• Isómeros SMILES: CCOC(=O)C1=C(SC=C1C)N
• Peso molecular: 185.25
• Beilstein: 1366073
• Reaxy-Rn: 1366073
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1366073&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Thiophenes
      • Subclass Thiophene carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Thiophenes
• Subclass: Thiophene carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiophene carboxylic acids and derivatives
• Alternative Parents: 2-aminothiophenes Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Thiophene carboxylic acid or derivatives - 2-aminothiophene - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as thiophene carboxylic acids and derivatives. These are compounds containing a thiophene ring which bears a carboxylic acid group (or a salt/ester thereof).
• 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

• Solubilidad: Soluble in water
• Punto de fusión (°C): 79-83°C
• Peso molecular: 185.250 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 185.051 Da
• Monoisotopic Mass: 185.051 Da
• Topological Polar Surface Area: 80.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 174.000
• 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