Cas no 106306-98-3 (Benzamide, 3,4-diamino-N-[3-(dimethylamino)propyl]-)

Benzamide, 3,4-diamino-N-[3-(dimethylamino)propyl]- structure
106306-98-3 structure
Product Name:Benzamide, 3,4-diamino-N-[3-(dimethylamino)propyl]-
CAS No:106306-98-3
MF:C12H20N4O
MW:236.313402175903
CID:1174142
PubChem ID:13593665
Update Time:2025-04-20

Benzamide, 3,4-diamino-N-[3-(dimethylamino)propyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzamide, 3,4-diamino-N-[3-(dimethylamino)propyl]-
    • 3,4-diamino-N-[3-(dimethylamino)propyl]benzamide
    • DTXSID80544593
    • 106306-98-3
    • SCHEMBL2951611
    • Inchi: 1S/C12H20N4O/c1-16(2)7-3-6-15-12(17)9-4-5-10(13)11(14)8-9/h4-5,8H,3,6-7,13-14H2,1-2H3,(H,15,17)
    • InChI Key: OVSLCEWQUFPLLA-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC(=C(C=1)N)N)NCCCN(C)C

Computed Properties

  • Exact Mass: 236.1639
  • Monoisotopic Mass: 236.16371127g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 5
  • Complexity: 245
  • 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: 0.2
  • Topological Polar Surface Area: 84.4?2

Experimental Properties

  • PSA: 84.38
  • LogP: 2.26970
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