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

CAS: 3201-21-6 Cat. No.: E697360 Summenformel: C₆H₁₀N₂O Molekulargewicht: 126.16 EG-Nummer: 860-649-8 PubChem CID: 316286

QUALITÄT & REINHEIT ≥95%

Synonyms

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

Storage

Store at 2-8°C

Shipped In

Wet ice

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Produkteigenschaften

ALogP

1.3

Namen und Kennungen

Kanonisches Lächeln

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)

Isomere SMILES

CCOC1=NNC(=C1)C

PubChem CID

316286

Molekulargewicht

126.16

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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