N~6~-(3,4-Dichlorobenzyl)-N~6~-Nitroso-2,4,6-Quinazolinetriamine

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Properties Simple | Detailed

Formula C15H12Cl2N6O
IUPAC Name n-(2,4-diaminoquinazolin-6-yl)-n-[(3,4-dichlorophenyl)methyl]nitrous amide
Molecular Mass 363.201 g·mol−1
Heat of Formation 345.6 ± 16.7 kJ·mol−1
Dipole Moment 1.02 ± 1.08 D
Volume 389.28 Å 3
Surface Area 330.92 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -1.19 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4,6-quinazolinetriamine, n(sup 6)-((3,4-dichlorophenyl)methyl)-n(sup 6)-nitroso- (9ci)
  • 2,4-diamino-6-((3,4-dichlorobenzyl)nitrosamino)quinazoline
  • ci 679
  • n(6)-((3,4-dichlorophenyl)methyl)- n(6)-nitroso-2,4,6-quinazolinetriamine
  • n-(2,4-diamino-6-quinazolinyl)-n-[(3,4-dichlorophenyl)methyl]nitrous amide
  • n-(2,4-diaminoquinazolin-6-yl)-n-(3,4-dichlorobenzyl)nitrous amide
  • n-(2,4-diaminoquinazolin-6-yl)-n-[(3,4-dichlorophenyl)methyl]nitrous amide
  • quinazoline, 2,4-diamino-6-((3,4-dichlorobenzyl)nitrosamino)-
CAS Number(s)
  • 22316-71-8
InChIKey YVQXNYOBSUPZMH-UHFFFAOYSA-N
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Elements H C N O Cl