Cas no 138859-29-7 (4-(1-methylbutoxy)aniline hydrochloride)

4-(1-methylbutoxy)aniline hydrochloride structure
138859-29-7 structure
Product Name:4-(1-methylbutoxy)aniline hydrochloride
CAS No:138859-29-7
MF:C11H18ClNO
MW:215.719722270966
CID:1266197
PubChem ID:44146309
Update Time:2025-04-20

4-(1-methylbutoxy)aniline hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 4-(1-methylbutoxy)aniline hydrochloride
    • 4-(Pentan-2-yloxy)aniline hydrochloride (1:1)
    • benzenamine, 4-(1-methylbutoxy)-, hydrochloride (1:1)
    • LogP
    • 4-pentan-2-yloxyaniline,hydrochloride
    • SODDNNJNEBUBAY-UHFFFAOYSA-N
    • Benzenamine, 4-(1-methylbutoxy)-, hydrochloride
    • DTXSID80888969
    • 138859-29-7
    • Inchi: 1S/C11H17NO.ClH/c1-3-4-9(2)13-11-7-5-10(12)6-8-11;/h5-9H,3-4,12H2,1-2H3;1H
    • InChI Key: SODDNNJNEBUBAY-UHFFFAOYSA-N
    • SMILES: Cl.O(C1C=CC(=CC=1)N)C(C)CCC

Computed Properties

  • Exact Mass: 215.10784
  • Monoisotopic Mass: 215.1076919g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 130
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 35.2?2

Experimental Properties

  • PSA: 35.25
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