Cas no 94749-01-6 (Benzenemethanamine, N-[6-(3-phenylpropoxy)hexyl]-, hydrobromide)

Benzenemethanamine, N-[6-(3-phenylpropoxy)hexyl]-, hydrobromide structure
94749-01-6 structure
Product Name:Benzenemethanamine, N-[6-(3-phenylpropoxy)hexyl]-, hydrobromide
CAS No:94749-01-6
MF:C22H32BrNO
MW:406.399585723877
CID:2818310
Update Time:2023-08-07

Benzenemethanamine, N-[6-(3-phenylpropoxy)hexyl]-, hydrobromide Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanamine, N-[6-(3-phenylpropoxy)hexyl]-, hydrobromide
    • N-[6-(3-phenylpropoxy)hexyl]benzenemethanamine hydrobromide
    • N-Benzyl-6-(3-phenylpropoxy)hexan-1-amine--hydrogen bromide (1/1)
    • Inchi: 1S/C22H31NO.BrH/c1(9-17-23-20-22-14-7-4-8-15-22)2-10-18-24-19-11-16-21-12-5-3-6-13-21;/h3-8,12-15,23H,1-2,9-11,16-20H2;1H
    • InChI Key: XHFFNLZNIJAWQJ-UHFFFAOYSA-N
    • SMILES: Br.O(CCCC1C=CC=CC=1)CCCCCCNCC1C=CC=CC=1

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 13
  • Complexity: 269
  • Topological Polar Surface Area: 21.3
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