Cas no 3840-25-3 ([4-[(carbamoylamino)methyl]phenyl]methylurea)

[4-[(carbamoylamino)methyl]phenyl]methylurea structure
3840-25-3 structure
Product Name:[4-[(carbamoylamino)methyl]phenyl]methylurea
CAS No:3840-25-3
MF:C10H14N4O2
MW:222.243761539459
CID:923469
PubChem ID:307856
Update Time:2025-04-19

[4-[(carbamoylamino)methyl]phenyl]methylurea Chemical and Physical Properties

Names and Identifiers

    • [4-[(carbamoylamino)methyl]phenyl]methylurea
    • AC1L7BOD
    • NSC206123
    • NSC-206123
    • DTXSID20308636
    • 3840-25-3
    • Inchi: 1S/C10H14N4O2/c11-9(15)13-5-7-1-2-8(4-3-7)6-14-10(12)16/h1-4H,5-6H2,(H3,11,13,15)(H3,12,14,16)
    • InChI Key: FQYYIARDOZKYGF-UHFFFAOYSA-N
    • SMILES: O=C(N)NCC1C=CC(=CC=1)CNC(N)=O

Computed Properties

  • Exact Mass: 222.11182
  • Monoisotopic Mass: 222.11167570g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 223
  • 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
  • Topological Polar Surface Area: 110?2

Experimental Properties

  • PSA: 110.24
  • LogP: 2.20560
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