Cas no 107916-76-7 (Benzenemethanamine,4-(hexyloxy)-a-methyl-)

Benzenemethanamine,4-(hexyloxy)-a-methyl- structure
107916-76-7 structure
Product Name:Benzenemethanamine,4-(hexyloxy)-a-methyl-
CAS No:107916-76-7
MF:C14H23NO
MW:221.338524103165
CID:176682
PubChem ID:60200
Update Time:2025-04-19

Benzenemethanamine,4-(hexyloxy)-a-methyl- Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanamine,4-(hexyloxy)-a-methyl-
    • 1-(4-hexoxyphenyl)ethanamine
    • 1-(4-Hexyloxy-phenyl)-aethylamin
    • 1-(4-hexyloxy-phenyl)-ethylamine
    • AC1L1SRE
    • ACMC-1C6XO
    • BRN 3260505
    • CTK4A5770
    • 107916-76-7
    • 1-[4-(Hexyloxy)phenyl]ethan-1-amine
    • BENZYLAMINE, p-(HEXYLOXY)-alpha-METHYL-
    • p-(Hexyloxy)-alpha-methylbenzylamine
    • DTXSID70910586
    • Inchi: 1S/C14H23NO/c1-3-4-5-6-11-16-14-9-7-13(8-10-14)12(2)15/h7-10,12H,3-6,11,15H2,1-2H3
    • InChI Key: RLRTXNKPHNALGI-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(=CC=1)C(C)N)CCCCCC

Computed Properties

  • Exact Mass: 221.17809
  • Monoisotopic Mass: 221.177964357g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 7
  • Complexity: 164
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.5
  • Topological Polar Surface Area: 35.2?2

Experimental Properties

  • PSA: 35.25
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