Cas no 114662-06-5 (1,7-Naphthalenediol,4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-, (R)- (9CI))

1,7-Naphthalenediol,4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-, (R)- (9CI) structure
114662-06-5 structure
Product Name:1,7-Naphthalenediol,4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-, (R)- (9CI)
CAS No:114662-06-5
MF:C16H21NO4
MW:291.34224486351
CID:199020
PubChem ID:195105
Update Time:2025-04-19

1,7-Naphthalenediol,4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-, (R)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 1,7-Naphthalenediol,4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-, (R)- (9CI)
    • 4,6-dihydroxypropranolol
    • 4,6-Dhp
    • 4-{[(2R)-2-hydroxy-3-(propan-2-ylamino)propyl]oxy}naphthalene-1,7-diol
    • 114662-06-5
    • 4-{2-Hydroxy-3-[(propan-2-yl)amino]propoxy}naphthalene-1,7-diol
    • DTXSID70921450
    • 4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalene-1,7-diol
    • Inchi: 1S/C16H21NO4/c1-10(2)17-8-12(19)9-21-16-6-5-15(20)14-7-11(18)3-4-13(14)16/h3-7,10,12,17-20H,8-9H2,1-2H3/t12-/m1/s1
    • InChI Key: PFJHUACESAVKDZ-GFCCVEGCSA-N
    • SMILES: O(C1C=CC(=C2C=C(C=CC=12)O)O)C[C@@H](CNC(C)C)O

Computed Properties

  • Exact Mass: 291.14713
  • Monoisotopic Mass: 291.147
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 6
  • Complexity: 313
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.3
  • Topological Polar Surface Area: 82?2

Experimental Properties

  • Density: 1.244
  • Boiling Point: 542°Cat760mmHg
  • Flash Point: 281.6°C
  • Refractive Index: 1.625
  • PSA: 81.95

1,7-Naphthalenediol,4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-, (R)- (9CI) Related Literature

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