Cas no 5729-90-8 (4-(acetylamino)-N-[3-(dimethylamino)propyl]benzamide)

4-(acetylamino)-N-[3-(dimethylamino)propyl]benzamide structure
5729-90-8 structure
Product Name:4-(acetylamino)-N-[3-(dimethylamino)propyl]benzamide
CAS No:5729-90-8
MF:C14H21N3O2
MW:263.335443258286
CID:1604029
PubChem ID:2261892
Update Time:2025-04-21

4-(acetylamino)-N-[3-(dimethylamino)propyl]benzamide Chemical and Physical Properties

Names and Identifiers

    • 4-(acetylamino)-N-[3-(dimethylamino)propyl]benzamide
    • 4-Acetamido-N-[3-(dimethylamino)propyl]benzamide
    • benzamide, 4-(acetylamino)-N-[3-(dimethylamino)propyl]-
    • ST043129
    • STK032458
    • BIM-0029163.P001
    • DTXSID60367368
    • SR-01000218204-1
    • SR-01000218204
    • N-[3-(DIMETHYLAMINO)PROPYL]-4-ACETAMIDOBENZAMIDE
    • CBMicro_029205
    • 5729-90-8
    • AKOS003277696
    • Inchi: 1S/C14H21N3O2/c1-11(18)16-13-7-5-12(6-8-13)14(19)15-9-4-10-17(2)3/h5-8H,4,9-10H2,1-3H3,(H,15,19)(H,16,18)
    • InChI Key: DQJMISBYHPSOCM-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC(=CC=1)NC(C)=O)NCCCN(C)C

Computed Properties

  • Exact Mass: 263.16353
  • Monoisotopic Mass: 263.163
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 6
  • Complexity: 297
  • 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: 0.4
  • Topological Polar Surface Area: 61.4?2

Experimental Properties

  • Density: 1.115
  • Boiling Point: 495.9°C at 760 mmHg
  • Flash Point: 253.7°C
  • Refractive Index: 1.56
  • PSA: 61.44
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