Cas no 5457-31-8 (1H-indol-3-yl-N,N,N-trimethylmethanaminium)

1H-indol-3-yl-N,N,N-trimethylmethanaminium structure
5457-31-8 structure
Product Name:1H-indol-3-yl-N,N,N-trimethylmethanaminium
CAS No:5457-31-8
MF:C12H17IN2
MW:316.181255102158
CID:942026
PubChem ID:6097052
Update Time:2025-04-19

1H-indol-3-yl-N,N,N-trimethylmethanaminium Chemical and Physical Properties

Names and Identifiers

    • 1H-indol-3-yl-N,N,N-trimethylmethanaminium
    • 1H-indol-3-ylmethyl(trimethyl)azanium,iodide
    • 3-(dimethylaminomethyl)indole methiodide
    • AC1O1ICP
    • gramine iodomethylate
    • Gramine methiodide
    • Gramine methiodide [MI]
    • indol-3-ylmethyl-trimethyl-ammonium, iodide
    • methiodide of gramin
    • N,N,N-trimethyl-1H-indole-3-methanaminium iodide
    • NSC24943
    • trimethyl-3-indolylmethylammonium iodide
    • UNII-49388CS28A
    • Q27259218
    • AKOS002337009
    • 49388CS28A
    • 1H-Indole-3-methanaminium, N,N,N-trimethyl-, iodide (1:1)
    • (3-Indolylmethyl)trimethylammonium iodide
    • SCHEMBL8721749
    • NSC 24943
    • DTXSID50202991
    • Ammonium, (indol-3-ylmethyl)trimethyl-, iodide
    • STGYYGWMNTXYAJ-UHFFFAOYSA-M
    • 1-(1H-Indol-3-yl)-N,N,N-trimethylmethanaminium iodide
    • 5457-31-8
    • 1H-indol-3-ylmethyl(trimethyl)azanium;iodide
    • DONAXINE iodomethylate
    • 1H-Indole-3-methanaminium, N,N,N-trimethyl-, iodide
    • NSC-24943
    • Inchi： 1S/C12H17N2.HI/c1-14(2,3)9-10-8-13-12-7-5-4-6-11(10)12;/h4-8,13H,9H2,1-3H3;1H/q+1;/p-1
    • InChI Key： STGYYGWMNTXYAJ-UHFFFAOYSA-M
    • SMILES： [I-].[N+](C)(C)(C)CC1=CNC2C=CC=CC1=2

Computed Properties

  • Exact Mass: 189.13931
  • Monoisotopic Mass: 316.044
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 195
  • 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: 15.8A^2

Experimental Properties

  • PSA: 15.79

1H-indol-3-yl-N,N,N-trimethylmethanaminium Related Literature

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