Cas no 1594458-88-4 (4-(3-chloro-5-fluorophenyl)butan-1-amine)

4-(3-chloro-5-fluorophenyl)butan-1-amine structure
1594458-88-4 structure
Product Name:4-(3-chloro-5-fluorophenyl)butan-1-amine
CAS No:1594458-88-4
MF:C10H13ClFN
MW:201.668325185776
CID:6522847
PubChem ID:114454855
Update Time:2024-01-11

4-(3-chloro-5-fluorophenyl)butan-1-amine Chemical and Physical Properties

Names and Identifiers

    • 4-(3-chloro-5-fluorophenyl)butan-1-amine
    • EN300-1711253
    • 1594458-88-4
    • Inchi: 1S/C10H13ClFN/c11-9-5-8(3-1-2-4-13)6-10(12)7-9/h5-7H,1-4,13H2
    • InChI Key: NVFQHMFGPNSRGV-UHFFFAOYSA-N
    • SMILES: ClC1=CC(=CC(=C1)CCCCN)F

Computed Properties

  • Exact Mass: 201.0720553g/mol
  • Monoisotopic Mass: 201.0720553g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 143
  • 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
  • XLogP3: 2.7
  • Topological Polar Surface Area: 26?2

4-(3-chloro-5-fluorophenyl)butan-1-amine Pricemore >>

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