Cas no 30096-96-9 (Ethanaminium,N,N,N-trimethyl-2-(4-nitrophenoxy)-, iodide (1:1))

Ethanaminium,N,N,N-trimethyl-2-(4-nitrophenoxy)-, iodide (1:1) structure
30096-96-9 structure
Product Name:Ethanaminium,N,N,N-trimethyl-2-(4-nitrophenoxy)-, iodide (1:1)
CAS No:30096-96-9
MF:C11H17IN2O3
MW:352.168755292892
CID:322041
PubChem ID:24193650
Update Time:2025-04-19

Ethanaminium,N,N,N-trimethyl-2-(4-nitrophenoxy)-, iodide (1:1) Chemical and Physical Properties

Names and Identifiers

    • Ethanaminium,N,N,N-trimethyl-2-(4-nitrophenoxy)-, iodide (1:1)
    • trimethyl-[2-(4-nitrophenoxy)ethyl]azanium,iodide
    • NSC154945
    • NSC-154945
    • 30096-96-9
    • N,N,N-Trimethyl-2-(4-nitrophenoxy)ethan-1-aminium iodide
    • DTXSID90638391
    • Inchi: 1S/C11H17N2O3.HI/c1-13(2,3)8-9-16-11-6-4-10(5-7-11)12(14)15;/h4-7H,8-9H2,1-3H3;1H/q+1;/p-1
    • InChI Key: QXCPQHZQDDTQIA-UHFFFAOYSA-M
    • SMILES: [I-].O(C1C=CC(=CC=1)[N+](=O)[O-])CC[N+](C)(C)C

Computed Properties

  • Exact Mass: 225.12401
  • Monoisotopic Mass: 352.02839g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 224
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 55?2

Experimental Properties

  • PSA: 52.37
  • LogP: -0.79300
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