3-Ethyl-4-methylisoxazol-5-amine - Reagent grade , CAS No.153458-34-5

CAS: 153458-34-5 Cat. No.: E478718 Peso molecular: 126.15

GRADE & PURITY Reagent Grade

Synonyms

MFCD06255250 | 3-Ethyl-4-methylisoxazol-5-amine | AKOS009336840 | 5-Isoxazolamine,3-ethyl-4-methyl-(9CI) | 5-amino-3-ethyl-4-methylisoxazole | 3-ethyl-4-methyl-1,2-oxazol-5-amine | 3-Ethyl-4-methylisoxazol-5-amine, AldrichCPR | BS-37395 | SCHEMBL2345949 |

Storage

Room temperature

Specifications

Sinónimos

MFCD06255250 | 3-Ethyl-4-methylisoxazol-5-amine | AKOS009336840 | 5-Isoxazolamine, 3-ethyl-4-methyl-(9CI) | 5-amino-3-ethyl-4-methylisoxazole | 3-ethyl-4-methyl-1, 2-oxazol-5-amine | 3-Ethyl-4-methylisoxazol-5-amine, AldrichCPR | BS-37395 | SCHEMBL2345949 |

Especificaciones y pureza

Reagent grade

Información jurídica

Product of ChemBridge Corp.

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Reagent Grade

Nombres e identificadores

• Sonrisas canónicas: CCC1=NOC(=C1C)N
• IUPAC Name: 3-ethyl-4-methyl-1,2-oxazol-5-amine
• InChIKey: RMAWJIRDEFGIPX-UHFFFAOYSA-N
• INCHI: 1S/C6H10N2O/c1-3-5-4(2)6(7)9-8-5/h3,7H2,1-2H3
• Isómeros SMILES: CCC1=NOC(=C1C)N
• Peso molecular: 126.15
• Reaxy-Rn: 110799
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=110799&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Primary amines
          • Level6 Primary aromatic amines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Primary amines
• Direct Parent: Primary aromatic amines
• Alternative Parents: Isoxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Primary aromatic amine - Heteroaromatic compound - Isoxazole - Azole - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as primary aromatic amines. These are primary amines where the only hydrocarbyl substituent of the amine group is aromatic. Primary amines have the general formula RNH2 (R=aryl).
• 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: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 126.079 Da
• Monoisotopic Mass: 126.079 Da
• Topological Polar Surface Area: 52.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 97.100
• 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