6,7-Bis(1-Aziridinyl)-4-{[3-(Dimethylamino)Propyl]Amino}-5,8-Quinazolinedione

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Properties Simple | Detailed

Formula C17H22N6O2
IUPAC Name 6,7-bis(aziridin-1-yl)-4-[3-(dimethylamino)propylamino]quinazoline-5,8-dione
Molecular Mass 342.396 g·mol−1
Heat of Formation 256.6 ± 16.7 kJ·mol−1
Dipole Moment 6.00 ± 1.08 D
Volume 410.45 Å 3
Surface Area 354.76 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -1.62 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(3-dimethylaminopropylamino)-6,7-diethylenimino-quinazoline-5,8-quinone
  • 5,8-quinazolinedione, 6,7-bis(1-aziridinyl)-4-((3-(dimethylamino)propyl)amino)-
  • 6,7-bis(1-aziridinyl)-4-((3-(dimethylamino)propyl)amino)-5,8-quinazolinedione
  • 6,7-bis(1-aziridinyl)-4-((3-(n,n-dimethylamino)propyl)amino)-5,8-quinazolinedione
  • 6,7-bis(1-aziridinyl)-4-(3-(n,n-dimethylamino)propylamino)-5,8-quinazolinedione
  • 6,7-bis(1-aziridinyl)-4-(3-dimethylaminopropylamino)quinazoline-5,8-dione
  • 6,7-bis(aziridin-1-yl)-4-(3-dimethylaminopropylamino)quinazoline-5,8-dione
  • r63
CAS Number(s)
  • 120075-43-6
InChIKey VAQMBBQFJFTWPC-UHFFFAOYSA-N
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