Cas no 116169-73-4 (Ethanaminium,N,N,N-trimethyl-2-[(4-methylphenyl)phenylmethoxy]-, iodide, (+)- (9CI))

Ethanaminium,N,N,N-trimethyl-2-[(4-methylphenyl)phenylmethoxy]-, iodide, (+)- (9CI) structure
116169-73-4 structure
Product Name:Ethanaminium,N,N,N-trimethyl-2-[(4-methylphenyl)phenylmethoxy]-, iodide, (+)- (9CI)
CAS No:116169-73-4
MF:C19H26INO
MW:411.320317745209
CID:202776
PubChem ID:2830867
Update Time:2025-04-19

Ethanaminium,N,N,N-trimethyl-2-[(4-methylphenyl)phenylmethoxy]-, iodide, (+)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Ethanaminium,N,N,N-trimethyl-2-[(4-methylphenyl)phenylmethoxy]-, iodide, (+)- (9CI)
    • N-methyl-4-methyldiphenhydramine
    • trimethyl-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]azanium,iodide
    • Ethanaminium, N,N,N-trimethyl-2-((4-methylphenyl)phenylmethoxy)-, iodide, (+)-
    • N,N,N-trimethyl-2-[(4-methylphenyl)(phenyl)methoxy]ethanaminium iodide
    • QMDP
    • DTXSID30921951
    • N,N,N-Trimethyl-2-[(4-methylphenyl)(phenyl)methoxy]ethan-1-aminium iodide
    • 116169-73-4
    • trimethyl-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]azanium;iodide
    • Inchi： 1S/C19H26NO.HI/c1-16-10-12-18(13-11-16)19(17-8-6-5-7-9-17)21-15-14-20(2,3)4;/h5-13,19H,14-15H2,1-4H3;1H/q+1;/p-1
    • InChI Key： OGMLFMFQMCOJPL-UHFFFAOYSA-M
    • SMILES： [I-].O(C(C1C=CC=CC=1)C1C=CC(C)=CC=1)CC[N+](C)(C)C

Computed Properties

  • Exact Mass: 411.10558
  • Monoisotopic Mass: 411.105907
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 6
  • Complexity: 282
  • 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: 9.2

Experimental Properties

  • Density: g/cm3
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 9.23

Ethanaminium,N,N,N-trimethyl-2-[(4-methylphenyl)phenylmethoxy]-, iodide, (+)- (9CI) Related Literature

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