2,5-Dimethyl-1,3,4-oxadiazole - ≥97% , CAS No.13148-65-7

CAS: 13148-65-7 Cat. No.: D190540 Peso molecular: 98.0999999999999 Número EC: 870-459-7

GRADE & PURITY ≥97%

Synonyms

YVDWFZIVIIKYBQ-UHFFFAOYSA-N | SB11386 | A888457 | AKOS003589736 | MFCD00483011 | EN300-128777 | dimethyl-1,3,4-oxadiazole | 1,3,4-Oxadiazole, 2,5-dimethyl- | DTXSID30406071 | STL451617 | Dibenz(a,j)anthracene trans-3,4-diol-syn-1,2-epoxide | 2,5-dimethyl-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

YVDWFZIVIIKYBQ-UHFFFAOYSA-N | SB11386 | A888457 | AKOS003589736 | MFCD00483011 | EN300-128777 | dimethyl-1, 3, 4-oxadiazole | 1, 3, 4-Oxadiazole, 2, 5-dimethyl- | DTXSID30406071 | STL451617 | Dibenz(a, j)anthracene trans-3, 4-diol-syn-1, 2-epoxide | 2, 5-dimethyl-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC1=NN=C(O1)C
• IUPAC Name: 2,5-dimethyl-1,3,4-oxadiazole
• InChIKey: YVDWFZIVIIKYBQ-UHFFFAOYSA-N
• INCHI: 1S/C4H6N2O/c1-3-5-6-4(2)7-3/h1-2H3
• Isómeros SMILES: CC1=NN=C(O1)C
• Peso molecular: 98.0999999999999
• Reaxy-Rn: 109624
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=109624&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Oxadiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Oxadiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3,4-oxadiazoles
• Alternative Parents: Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - 1,3,4-oxadiazole - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1,3,4-oxadiazoles. These are compounds containing an oxadiazole ring with the oxygen and the two nitrogen atoms at positions 1, 3, and 4, respectively.
• 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: 98.100 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 98.048 Da
• Monoisotopic Mass: 98.048 Da
• Topological Polar Surface Area: 38.900 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 58.700
• 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