Cas no 97760-81-1 (1-(4-Amino-3-chloro-5-methyl-phenyl)-ethanone)

1-(4-Amino-3-chloro-5-methyl-phenyl)-ethanone structure
97760-81-1 structure
Product Name:1-(4-Amino-3-chloro-5-methyl-phenyl)-ethanone
CAS No:97760-81-1
MF:C9H10ClNO
MW:183.634801387787
CID:1002268
Update Time:2023-09-05

1-(4-Amino-3-chloro-5-methyl-phenyl)-ethanone Chemical and Physical Properties

Names and Identifiers

    • 1-(4-Amino-3-chloro-5-methyl-phenyl)-ethanone
    • 1-(4-Amino-3-chloro-5-methylphenyl)ethanone
    • 1-(4-Amino-3-chloro-5-methylphenyl)ethanone (ACI)
    • 1-(4-Amino-3-chloro-5-methylphenyl)ethan-1-one
    • Inchi: 1S/C9H10ClNO/c1-5-3-7(6(2)12)4-8(10)9(5)11/h3-4H,11H2,1-2H3
    • InChI Key: ITKZXASARBMDDH-UHFFFAOYSA-N
    • SMILES: O=C(C)C1C=C(C)C(N)=C(Cl)C=1

Computed Properties

  • Exact Mass: 183.045
  • Monoisotopic Mass: 183.045
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 183
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0

1-(4-Amino-3-chloro-5-methyl-phenyl)-ethanone Production Method

Production Method 1

Reaction Conditions
Reference
Synthesis of further amino-halogen-substituted phenyl aminoethanols
Krueger, G.; et al, Arzneimittel-Forschung, 1984, , 1612-24

1-(4-Amino-3-chloro-5-methyl-phenyl)-ethanone Preparation Products

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