Cas no 262857-01-2 (4H-1,3-Benzodioxin-6-methanol, 2,2-dimethyl-alpha-[[[6-(4-phenylbutoxy)hexyl]amino]methyl]-)

4H-1,3-Benzodioxin-6-methanol, 2,2-dimethyl-alpha-[[[6-(4-phenylbutoxy)hexyl]amino]methyl]- structure
262857-01-2 structure
Product Name:4H-1,3-Benzodioxin-6-methanol, 2,2-dimethyl-alpha-[[[6-(4-phenylbutoxy)hexyl]amino]methyl]-
CAS No:262857-01-2
MF:C28H41NO4
MW:455.629448652267
CID:5687482
PubChem ID:10182747
Update Time:2023-09-25

4H-1,3-Benzodioxin-6-methanol, 2,2-dimethyl-alpha-[[[6-(4-phenylbutoxy)hexyl]amino]methyl]- Chemical and Physical Properties

Names and Identifiers

    • 4H-1,3-Benzodioxin-6-methanol, 2,2-dimethyl-α-[[[6-(4-phenylbutoxy)hexyl]amino]methyl]-
    • OYCVIHNVPFDNLD-UHFFFAOYSA-N
    • 4H-1,3-Benzodioxin-6-methanol, 2,2-dimethyl-alpha-[[[6-(4-phenylbutoxy)hexyl]amino]methyl]-
    • 1-(2,2-dimethyl-4H-benzo[d][1,3]dioxin-6-yl)-2-(6-(4-phenylbutoxy)hexylamino)ethanol
    • 262857-01-2
    • [2-(2,2-dimethyl-4H-benzo[1,3]dioxin-6-yl)-2-hydroxyethyl]-6-[4-phenylbutoxy)hexylamine
    • SCHEMBL2829651
    • 1-(2,2-Dimethyl-4H-benzo[d][1,3]dioxin-6-yl)-2-(6-(4 phenylbutoxy)hexylamino)ethanol
    • N-[2-(2,2-dimethyl-4H-benzo[1,3]dioxin-6-yl)-2-hydroxyethyl]-6-(4-phenylbutoxy)hexylamine
    • Inchi： 1S/C28H41NO4/c1-28(2)32-22-25-20-24(15-16-27(25)33-28)26(30)21-29-17-9-3-4-10-18-31-19-11-8-14-23-12-6-5-7-13-23/h5-7,12-13,15-16,20,26,29-30H,3-4,8-11,14,17-19,21-22H2,1-2H3
    • InChI Key： OYCVIHNVPFDNLD-UHFFFAOYSA-N
    • SMILES： O1C2C=CC(=CC=2COC1(C)C)C(CNCCCCCCOCCCCC1C=CC=CC=1)O

Computed Properties

  • Exact Mass: 455.30355879g/mol
  • Monoisotopic Mass: 455.30355879g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 15
  • Complexity: 508
  • 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
  • XLogP3: 4.7
  • Topological Polar Surface Area: 60?2

Experimental Properties

  • Density: 1.062±0.06 g/cm3(Predicted)
  • Boiling Point: 595.9±50.0 °C(Predicted)
  • pka: 13.99±0.20(Predicted)

4H-1,3-Benzodioxin-6-methanol, 2,2-dimethyl-alpha-[[[6-(4-phenylbutoxy)hexyl]amino]methyl]- Related Literature

262857-01-2 (4H-1,3-Benzodioxin-6-methanol, 2,2-dimethyl-alpha-[[[6-(4-phenylbutoxy)hexyl]amino]methyl]-) Related Products

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