2-[(2,6-Dimethylphenyl)Amino]-N,N,N-Trimethyl-2-Oxoethanaminium

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Properties Simple | Detailed

Formula C13H21N2O+
IUPAC Name [2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-trimethylazanium
Molecular Mass 221.319 g·mol−1
Heat of Formation 2266.8 ± 16.7 kJ·mol−1
Dipole Moment 1.75 ± 1.08 D
Volume 268.68 Å 3
Surface Area 256.26 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy -2.42 ± eV
Point Group Symmetry C1
Synonyms
  • 2-((2,6-dimethylphenyl)amino)-n,n,n-trimethyl-2-oxoethanaminium
  • [2-[(2,6-dimethylphenyl)amino]-2-keto-ethyl]-trimethyl-ammonium
  • [2-[(2,6-dimethylphenyl)amino]-2-oxo-ethyl]-trimethyl-ammonium
  • [2-[(2,6-dimethylphenyl)amino]-2-oxo-ethyl]-trimethyl-azanium
  • [2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-trimethylammonium
  • ethanaminium, 2-((2,6-dimethylphenyl)amino)-n,n,n-trimethyl-2-oxo-
  • qx 222
  • tocris-1043
CAS Number(s)
  • 21236-55-5
InChIKey QYUXPWDVDMSTKR-UHFFFAOYSA-O
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