5-Chloro-N~6~-(2,5-Dimethoxybenzyl)-2,4,6-Quinazolinetriamine

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Properties Simple | Detailed

Formula C17H18ClN5O2
IUPAC Name 5-chloro-n6-[(2,5-dimethoxyphenyl)methyl]quinazoline-2,4,6-triamine
Molecular Mass 359.810 g·mol−1
Heat of Formation -77.2 ± 16.7 kJ·mol−1
Dipole Moment 4.35 ± 1.08 D
Volume 399.1 Å 3
Surface Area 320.96 Å 2
HOMO Energy -8.28 ± 0.55 eV
LUMO Energy 2.34 ± eV
Point Group Symmetry C1
Synonyms
  • (2,4-diamino-5-chloro-quinazolin-6-yl)-(2,5-dimethoxybenzyl)amine
  • 2,4,6-quinazolinetriamine, 5-chloro-n6-[(2,5-dimethoxyphenyl)methyl]-
  • 5-chloro-n6-[(2,5-dimethoxyphenyl)methyl]quinazoline-2,4,6-triamine
InChIKey ZQYDKYDSKVGDJP-UHFFFAOYSA-N
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