Cas no 532-80-9 (4-(1-hydroxy-2-methylamino-ethyl)phenol)

4-(1-hydroxy-2-methylamino-ethyl)phenol structure
532-80-9 structure
Product Name:4-(1-hydroxy-2-methylamino-ethyl)phenol
CAS No:532-80-9
MF:C9H13NO2
MW:167.205022573471
CID:938254
PubChem ID:667452
Update Time:2025-04-19

4-(1-hydroxy-2-methylamino-ethyl)phenol Chemical and Physical Properties

Names and Identifiers

    • 4-(1-hydroxy-2-methylamino-ethyl)phenol
    • UNII-73SNV1H5Y5
    • Benzenemethanol, 4-hydroxy-alpha-((methylamino)methyl)-, (S)-
    • (+)-p-hydroxy-alpha-[(methylamino)methyl]benzyl alcohol
    • 4-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol;Synephrine
    • 73SNV1H5Y5
    • A844801
    • l-Synephrine
    • PD132238
    • (S)-SYNEPHRINE
    • 4-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol
    • Oxedrine, (+)-
    • (+)-p-Hydroxy-alpha-((methylamino)methyl)benzyl alcohol
    • BENZENEMETHANOL, 4-HYDROXY-.ALPHA.-((METHYLAMINO)METHYL)-, (.ALPHA.S)-
    • CHEBI:33016
    • 532-80-9
    • NS00098774
    • (+)-oxedrine
    • Q27115207
    • BENZYL ALCOHOL, p-HYDROXY-alpha-((METHYLAMINO)METHYL)-, (+)-
    • (S)-4-hydroxy-alpha-[(methylamino)methyl]benzenemethanol
    • (+)-Synephrine
    • AKOS037514851
    • (+)-p-Synephrine
    • Inchi: 1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3/t9-/m1/s1
    • InChI Key: YRCWQPVGYLYSOX-SECBINFHSA-N
    • SMILES: O[C@@H](C1C=CC(=CC=1)O)CNC

Computed Properties

  • Exact Mass: 167.094629
  • Monoisotopic Mass: 167.094629
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 122
  • 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: _0.6
  • Topological Polar Surface Area: 52.5

Experimental Properties

  • Density: 1.159
  • Boiling Point: 341.1°Cat760mmHg
  • Flash Point: 163.4°C
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