Cas no 90641-79-5 (acetic acid, [3-(2-cyanoethyl)ureido]-, ethyl ester)

acetic acid, [3-(2-cyanoethyl)ureido]-, ethyl ester structure
90641-79-5 structure
Product Name:acetic acid, [3-(2-cyanoethyl)ureido]-, ethyl ester
CAS No:90641-79-5
MF:C8H13N3O3
MW:199.207121610641
CID:861247
PubChem ID:253042
Update Time:2025-04-19

acetic acid, [3-(2-cyanoethyl)ureido]-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • acetic acid, [3-(2-cyanoethyl)ureido]-, ethyl ester
    • phosphanylidyneyttrium
    • DTXSID40920258
    • NSC75437
    • 90641-79-5
    • Ethyl N-{[(2-cyanoethyl)imino](hydroxy)methyl}glycinate
    • NSC-75437
    • Inchi: 1S/C8H13N3O3/c1-2-14-7(12)6-11-8(13)10-5-3-4-9/h2-3,5-6H2,1H3,(H2,10,11,13)
    • InChI Key: IGKSODBCEFQNCG-UHFFFAOYSA-N
    • SMILES: O(CC)C(CNC(NCCC#N)=O)=O

Computed Properties

  • Exact Mass: 199.096
  • Monoisotopic Mass: 199.096
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 6
  • Complexity: 244
  • 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
  • XLogP3: -0.7
  • Topological Polar Surface Area: 91.2?2

Experimental Properties

  • Density: 1.156
  • Boiling Point: 445.9°C at 760 mmHg
  • Flash Point: 223.5°C
  • Refractive Index: 1.469
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