1-(3-Methyl-1,1-Dioxido-4H-1,2,4-Benzothiadiazin-6-Yl)Methanamine

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Properties Simple | Detailed

Formula C9H11N3O2S
IUPAC Name (3-methyl-1,1-dioxo-4h-1λ6,2,4-benzothiadiazin-6-yl)methanamine
Molecular Mass 225.268 g·mol−1
Heat of Formation -185.6 ± 16.7 kJ·mol−1
Dipole Moment 6.82 ± 1.08 D
Volume 244.99 Å 3
Surface Area 234.55 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy 2.25 ± eV
Point Group Symmetry C1
Synonyms
  • (1,1-diketo-3-methyl-4h-benzo[e][1,2,4]thiadiazin-6-yl)methylamine
  • (3-methyl-1,1-dioxo-4h-benzo[e][1,2,4]thiadiazin-6-yl)methanamine
  • 6-aminomethyl-3-methyl-4h-1,2,4-benzothiadiazine 1,1-dioxide
  • 6-aminomethyl-methyl-4h-1,2,4-benzothiadiazine-1,1-dioxide
  • ambtd
InChIKey LBSXFXZKPFLDPO-UHFFFAOYSA-N
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