Cas no 915402-15-2 ( )

  structure
  structure
Product Name: 
CAS No:915402-15-2
MF:C12H21NO4
MW:243.29944396019
CID:875510
PubChem ID:17389681
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • 2-Cyclobutyl-azepane oxalate
    • 1177306-14-7
    • 2-CYCLOBUTYLAZEPANEOXALATE
    • 2-cyclobutylazepane;oxalic acid
    • 915402-15-2
    • 2-CYCLOBUTYLAZEPANE OXALATE
    • AKOS005144063
    •  
    • Inchi: 1S/C10H19N.C2H2O4/c1-2-7-10(11-8-3-1)9-5-4-6-9;3-1(4)2(5)6/h9-11H,1-8H2;(H,3,4)(H,5,6)
    • InChI Key: UGHFTYVWVMNGEB-UHFFFAOYSA-N
    • SMILES: OC(C(=O)O)=O.N1CCCCCC1C1CCC1

Computed Properties

  • Exact Mass: 396.29900
  • Monoisotopic Mass: 243.14705815g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 190
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 86.6?2

Experimental Properties

  • PSA: 98.66000
  • LogP: 4.45060

  Pricemore >>

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