Cas no 137618-52-1 (4-(Benzyloxy)-3-hydroxybutanenitrile)

4-(Benzyloxy)-3-hydroxybutanenitrile structure
137618-52-1 structure
Product Name:4-(Benzyloxy)-3-hydroxybutanenitrile
CAS No:137618-52-1
MF:C11H13NO2
MW:191.226423025131
CID:1245362
PubChem ID:14948167
Update Time:2025-04-20

4-(Benzyloxy)-3-hydroxybutanenitrile Chemical and Physical Properties

Names and Identifiers

    • Butanenitrile, 3-hydroxy-4-(phenylmethoxy)-
    • 4-(benzyloxy)-3-hydroxybutanenitrile
    • CS-0337523
    • starbld0040277
    • SCHEMBL8328277
    • 137618-52-1
    • 3-hydroxy-4-phenylmethoxybutanenitrile
    • AKOS013432306
    • 4-(Benzyloxy)-3-hydroxybutanenitrile
    • Inchi: 1S/C11H13NO2/c12-7-6-11(13)9-14-8-10-4-2-1-3-5-10/h1-5,11,13H,6,8-9H2
    • InChI Key: JEGNUZIGCHAVNZ-UHFFFAOYSA-N
    • SMILES: O(CC1C=CC=CC=1)CC(CC#N)O

Computed Properties

  • Exact Mass: 191.09469
  • Monoisotopic Mass: 191.094628657g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • 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: 0.6
  • Topological Polar Surface Area: 53.2?2

Experimental Properties

  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 384.9±32.0 °C at 760 mmHg
  • Flash Point: 186.6±25.1 °C
  • PSA: 53.25
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

4-(Benzyloxy)-3-hydroxybutanenitrile Security Information

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