Cas no 25017-36-1 (Urea,N-[(3,5-dimethylphenyl)methyl]-)

Urea,N-[(3,5-dimethylphenyl)methyl]- structure
25017-36-1 structure
Product Name:Urea,N-[(3,5-dimethylphenyl)methyl]-
CAS No:25017-36-1
MF:C10H14N2O
MW:178.230962276459
CID:273974
PubChem ID:212822
Update Time:2025-04-19

Urea,N-[(3,5-dimethylphenyl)methyl]- Chemical and Physical Properties

Names and Identifiers

    • Urea,N-[(3,5-dimethylphenyl)methyl]-
    • (3,5-dimethylphenyl)methylurea
    • DTXSID80179723
    • 0-12-00-01164 (Beilstein Handbook Reference)
    • (3,5-Dimethylbenzyl)urea
    • SCHEMBL15304335
    • 25017-36-1
    • Urea, (3,5-dimethylbenzyl)-
    • BRN 3257276
    • Inchi: 1S/C10H14N2O/c1-7-3-8(2)5-9(4-7)6-12-10(11)13/h3-5H,6H2,1-2H3,(H3,11,12,13)
    • InChI Key: SHTCSERBLXIPEX-UHFFFAOYSA-N
    • SMILES: O=C(N)NCC1C=C(C)C=C(C)C=1

Computed Properties

  • Exact Mass: 178.11072
  • Monoisotopic Mass: 178.111
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 172
  • 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: 1.2
  • Topological Polar Surface Area: 55.1?2

Experimental Properties

  • Density: 1.084
  • Boiling Point: 314.2°Cat760mmHg
  • Flash Point: 143.8°C
  • Refractive Index: 1.552
  • PSA: 55.12
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