Cas no 330457-66-4 (Carbamic acid, (1-cyano-5-hydroxypentyl)-, phenylmethyl ester)

Carbamic acid, (1-cyano-5-hydroxypentyl)-, phenylmethyl ester structure
330457-66-4 structure
Product Name:Carbamic acid, (1-cyano-5-hydroxypentyl)-, phenylmethyl ester
CAS No:330457-66-4
MF:C14H18N2O3
MW:262.304323673248
CID:1454526
Update Time:2024-08-23

Carbamic acid, (1-cyano-5-hydroxypentyl)-, phenylmethyl ester Chemical and Physical Properties

Names and Identifiers

    • Carbamic acid, (1-cyano-5-hydroxypentyl)-, phenylmethyl ester
    • Carbamic acid, (1-cyano-5-hydroxypentyl)-, phenylmethyl ester (9CI)
    • Inchi: 1S/C14H18N2O3/c15-10-13(8-4-5-9-17)16-14(18)19-11-12-6-2-1-3-7-12/h1-3,6-7,13,17H,4-5,8-9,11H2,(H,16,18)
    • InChI Key: OXUVGTABGLCBQL-UHFFFAOYSA-N
    • SMILES: C(OCC1=CC=CC=C1)(=O)NC(C#N)CCCCO

Computed Properties

  • Exact Mass: 262.13184

Experimental Properties

  • Density: 1.166±0.06 g/cm3(Predicted)
  • Boiling Point: 478.8±45.0 °C(Predicted)
  • PSA: 82.35
  • pka: 9.86±0.46(Predicted)
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