Cas no 90390-32-2 (N-(3,5-difluorobenzyl)pentan-1-amine)

N-(3,5-difluorobenzyl)pentan-1-amine structure
90390-32-2 structure
Product Name:N-(3,5-difluorobenzyl)pentan-1-amine
CAS No:90390-32-2
MF:C12H17F2N
MW:213.266890287399
CID:1951704
PubChem ID:457615
Update Time:2025-04-21

N-(3,5-difluorobenzyl)pentan-1-amine Chemical and Physical Properties

Names and Identifiers

    • N-(3,5-difluorobenzyl)pentan-1-amine
    • Benzenemethanamine, 3,5-difluoro-N-pentyl-
    • 90389-33-6
    • 90390-32-2
    • CHEMBL1183001
    • DTXSID70238151
    • N-[(3,5-difluorophenyl)methyl]pentan-1-amine
    • Inchi: 1S/C12H17F2N/c1-2-3-4-5-15-9-10-6-11(13)8-12(14)7-10/h6-8,15H,2-5,9H2,1H3
    • InChI Key: KOSOXXSXHGLZLE-UHFFFAOYSA-N
    • SMILES: FC1C=C(C=C(C=1)CNCCCCC)F

Computed Properties

  • Exact Mass: 213.133
  • Monoisotopic Mass: 213.133
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 6
  • Complexity: 154
  • 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: 3.3
  • Topological Polar Surface Area: 12?2

Experimental Properties

  • Density: 1.037
  • Boiling Point: 245.4°C at 760 mmHg
  • Flash Point: 102.2°C
  • Refractive Index: 1.475
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