Cas no 62734-30-9 (Phenol, 4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-)

Phenol, 4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]- structure
62734-30-9 structure
Product Name:Phenol, 4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-
CAS No:62734-30-9
MF:C13H21NO3
MW:239.310744047165
CID:433774
PubChem ID:12363913
Update Time:2025-04-19

Phenol, 4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]- Chemical and Physical Properties

Names and Identifiers

    • Phenol, 4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-
    • 4-[3-(tert-butylamino)-2-hydroxypropoxy]phenol
    • SCHEMBL10790889
    • 62734-30-9
    • DTXSID00494324
    • CHEMBL3303446
    • Inchi: 1S/C13H21NO3/c1-13(2,3)14-8-11(16)9-17-12-6-4-10(15)5-7-12/h4-7,11,14-16H,8-9H2,1-3H3
    • InChI Key: SGBTYBFTCQAYEK-UHFFFAOYSA-N
    • SMILES: OC(COC1C=CC(=CC=1)O)CNC(C)(C)C

Computed Properties

  • Exact Mass: 239.15223
  • Monoisotopic Mass: 239.15214353g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 6
  • Complexity: 207
  • 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: 1.5
  • Topological Polar Surface Area: 61.7?2

Experimental Properties

  • PSA: 61.72
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