Cas no 589-85-5 (propyl hydroxycarbamate)

propyl hydroxycarbamate structure
propyl hydroxycarbamate structure
Product Name:propyl hydroxycarbamate
CAS No:589-85-5
MF:C4H9NO3
MW:119.119161367416
CID:1615430
PubChem ID:11521
Update Time:2025-04-21

propyl hydroxycarbamate Chemical and Physical Properties

Names and Identifiers

    • propyl hydroxycarbamate
    • carbamic acid, N-hydroxy-, propyl ester
    • N-Hydroxycarbamic acid propyl ester
    • propyl N-hydroxycarbamate
    • CCRIS 5072
    • CARBAMIC ACID, HYDROXY-, PROPYL ESTER
    • BRN 5492521
    • SCHEMBL851200
    • 589-85-5
    • DTXSID70207640
    • Inchi: 1S/C4H9NO3/c1-2-3-8-4(6)5-7/h7H,2-3H2,1H3,(H,5,6)
    • InChI Key: VRJVURSXNFEXIE-UHFFFAOYSA-N
    • SMILES: O(C(NO)=O)CCC

Computed Properties

  • Exact Mass: 119.05827
  • Monoisotopic Mass: 119.058243
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 3
  • Complexity: 73.7
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 58.6
  • XLogP3: 0.3

Experimental Properties

  • Density: 1.141
  • Boiling Point: 259.7°C at 760 mmHg
  • Flash Point: 110.9°C
  • Refractive Index: 1.439
  • PSA: 58.56
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