Cas no 4476-06-6 (Benzamide,3,4,5-trimethyl-)

Benzamide,3,4,5-trimethyl- structure
Benzamide,3,4,5-trimethyl- structure
Product Name:Benzamide,3,4,5-trimethyl-
CAS No:4476-06-6
MF:C10H13NO
MW:163.216322660446
CID:332341
PubChem ID:145748
Update Time:2025-04-19

Benzamide,3,4,5-trimethyl- Chemical and Physical Properties

Names and Identifiers

    • Benzamide,3,4,5-trimethyl-
    • Benzamide, 3,4,5-trimethyl-
    • 3,4,5-Trimethylbenzamide
    • 4476-06-6
    • DTXSID60196296
    • SCHEMBL18471225
    • Inchi： 1S/C10H13NO/c1-6-4-9(10(11)12)5-7(2)8(6)3/h4-5H,1-3H3,(H2,11,12)
    • InChI Key： SCBZIISKRAIMBW-UHFFFAOYSA-N
    • SMILES： O=C(C1C=C(C)C(C)=C(C)C=1)N

Computed Properties

  • Exact Mass: 163.09979
  • Monoisotopic Mass: 163.1
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 167
  • 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: 1.9
  • Topological Polar Surface Area: 43.1?2

Experimental Properties

  • Density: 1.039
  • Boiling Point: 239.4°Cat760mmHg
  • Flash Point: 98.6°C
  • Refractive Index: 1.545
  • PSA: 43.09

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