Cas no 933747-71-8 (Ethyl-(3-methyl-isoxazol-5-ylmethyl)-amine)

Ethyl-(3-methyl-isoxazol-5-ylmethyl)-amine structure
933747-71-8 structure
Product Name:Ethyl-(3-methyl-isoxazol-5-ylmethyl)-amine
CAS No:933747-71-8
MF:C7H12N2O
MW:140.182981491089
CID:2154111
Update Time:2023-08-05

Ethyl-(3-methyl-isoxazol-5-ylmethyl)-amine Chemical and Physical Properties

Names and Identifiers

    • ethyl-(3-methyl-isoxazol-5-ylmethyl)-amine
    • LIEAHLWEOLPYNU-UHFFFAOYSA-N
    • Ethyl-(3-methyl-isoxazol-5-ylmethyl)-amine
    • Inchi: 1S/C7H12N2O/c1-3-8-5-7-4-6(2)9-10-7/h4,8H,3,5H2,1-2H3
    • InChI Key: LIEAHLWEOLPYNU-UHFFFAOYSA-N
    • SMILES: O1C(=CC(C)=N1)CNCC

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 97.6
  • Topological Polar Surface Area: 38.1
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