3-Ethoxy-5-methyl-1H-pyrazole - ≥95% , CAS No.3201-21-6

CAS: 3201-21-6 Cat. No.: E697360 Fórmula: C₆H₁₀N₂O Peso molecular: 126.16 Número EC: 860-649-8 PubChem CID: 316286

CALIDAD & PUREZA ≥95%

Synonyms

1H-Pyrazole, 3-Ethoxy-5-Methyl- | 3-Methyl-5-Ethoxypyrazole

Storage

Store at 2-8°C

Shipped In

Wet ice

Especificaciones

Sinónimos

1H-Pyrazole, 3-Ethoxy-5-Methyl- | 3-Methyl-5-Ethoxypyrazole

Especificaciones y pureza

≥95%

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

≥95%

Propiedades del producto

ALogP

1.3

Nombres e identificadores

Sonrisas canónicas

CCOC1=NNC(=C1)C

IUPAC Name

3-ethoxy-5-methyl-1H-pyrazole

InChIKey

HXEKEMXHIRHCED-UHFFFAOYSA-N

INCHI

1S/C6H10N2O/c1-3-9-6-4-5(2)7-8-6/h4H,3H2,1-2H3,(H,7,8)

Isómeros SMILES

CCOC1=NNC(=C1)C

PubChem CID

316286

Peso molecular

126.16

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkyl aryl ethers
• Alternative Parents: Pyrazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl aryl ether - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group.
• 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

• Peso molecular: 126.160 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 126.079 Da
• Monoisotopic Mass: 126.079 Da
• Topological Polar Surface Area: 37.900 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 87.100
• 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