Cas no 723241-11-0 (N1-(4-Fluorobenzyl)butane-1,4-diamine)

N1-(4-Fluorobenzyl)butane-1,4-diamine structure
723241-11-0 structure
Product Name:N1-(4-Fluorobenzyl)butane-1,4-diamine
CAS No:723241-11-0
MF:C11H17FN2
MW:196.264486074448
CID:2127360
Update Time:2023-08-04

N1-(4-Fluorobenzyl)butane-1,4-diamine Chemical and Physical Properties

Names and Identifiers

    • N1-(4-fluorobenzyl)butane-1,4-diamine
    • N-(4-Fluorobenzyl)-1,4-butanediamine
    • N1-(4-Fluorobenzyl)butane-1,4-diamine
    • Inchi: 1S/C11H17FN2/c12-11-5-3-10(4-6-11)9-14-8-2-1-7-13/h3-6,14H,1-2,7-9,13H2
    • InChI Key: YAIUKLFVCVSOAE-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=CC=1)CNCCCCN

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 6
  • Complexity: 133
  • Topological Polar Surface Area: 38
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