Cas no 5452-78-8 ( )

  structure
  structure
Product Name: 
CAS No:5452-78-8
MF:C10H19NO
MW:169.263962984085
CID:941734
PubChem ID:227417
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • 2-(4-methylcycloheptyl)acetamide
    • AC1L5FH9
    • AC1Q5J75
    • AR-1C7995
    • CTK5A1457
    • HMS3095G08
    • NSC18989
    • NSC-18989
    • DTXSID80280888
    • 5452-78-8
    • CHEMBL1893387
    • MLS002638635
    • SMR001548106
    •  
    • Inchi: 1S/C10H19NO/c1-8-3-2-4-9(6-5-8)7-10(11)12/h8-9H,2-7H2,1H3,(H2,11,12)
    • InChI Key: FTLIHYMVFALFGD-UHFFFAOYSA-N
    • SMILES: O=C(CC1CCCC(C)CC1)N

Computed Properties

  • Exact Mass: 169.14677
  • Monoisotopic Mass: 169.147
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 156
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.6
  • Topological Polar Surface Area: 43.1?2

Experimental Properties

  • Density: 0.927
  • Boiling Point: 320.4°C at 760 mmHg
  • Flash Point: 147.6°C
  • Refractive Index: 1.458
  • PSA: 43.09
  • LogP: 2.77850
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