Cas no 29607-95-2 (2-Propanol, 1-[bis(2-hydroxyethyl)amino]-3-phenoxy-)

2-Propanol, 1-[bis(2-hydroxyethyl)amino]-3-phenoxy- structure
29607-95-2 structure
Product Name:2-Propanol, 1-[bis(2-hydroxyethyl)amino]-3-phenoxy-
CAS No:29607-95-2
MF:C13H21NO4
MW:255.31014418602
CID:1442502
PubChem ID:3721527
Update Time:2025-04-20

2-Propanol, 1-[bis(2-hydroxyethyl)amino]-3-phenoxy- Chemical and Physical Properties

Names and Identifiers

    • 2-Propanol, 1-[bis(2-hydroxyethyl)amino]-3-phenoxy-
    • 1-[bis(2-hydroxyethyl)amino]-3-phenoxypropan-2-ol
    • 1-[Bis(2-hydroxyethyl)amino]-3-phenoxy-2-propanol
    • AKOS016054928
    • 29607-95-2
    • DTXSID401234602
    • AKOS002685253
    • STK370577
    • Inchi: 1S/C13H21NO4/c15-8-6-14(7-9-16)10-12(17)11-18-13-4-2-1-3-5-13/h1-5,12,15-17H,6-11H2
    • InChI Key: KNKJIUZGNTUAJN-UHFFFAOYSA-N
    • SMILES: OC(COC1C=CC=CC=1)CN(CCO)CCO

Computed Properties

  • Exact Mass: 255.14713
  • Monoisotopic Mass: 255.14705815g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 9
  • Complexity: 191
  • 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: 0.5
  • Topological Polar Surface Area: 73.2?2

Experimental Properties

  • PSA: 73.16
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