N,N,N',N'-Tetrakis(2-Chloroethyl)-4,8-Di-1-Piperidinylpyrimido(5,4-D)Pyrimidine-2,6-Diamine

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Properties Simple | Detailed

Formula C23H14Cl4N8
IUPAC Name n2,n2,n6-tris(2-chloroethynyl)-n6-(chloromethyl)-4,8-bis(2h-pyridin-1-yl)pyrimido[5,4-d]pyrimidine-1,3,5,7-tetraium-2,6-diamine
Molecular Mass 544.223 g·mol−1
Heat of Formation 3738.4 ± 16.7 kJ·mol−1
Dipole Moment 3.15 ± 1.08 D
Volume 482.5 Å 3
Surface Area 385.79 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -2.50 ± eV
Point Group Symmetry C1
Synonyms
  • 2,6-bcdpp
  • 2,6-bis(bis-(2-chloroethyl)amino)-4,8-dipiperidino-pyrimido(5,4-d)pyrimidine
  • [2-[bis(2-chloroethyl)amino]-4,8-dipiperidino-pyrimido[6,5-e]pyrimidin-6-yl]-bis(2-chloroethyl)amine
  • dip-cl
  • n,n,n',n'-tetrakis(2-chloroethyl)-4,8-bis(1-piperidyl)pyrimido[6,5-e]pyrimidine-2,6-diamine
  • n,n,n',n'-tetrakis(2-chloroethyl)-4,8-di(piperidin-1-yl)pyrimido[6,5-e]pyrimidine-2,6-diamine
  • pyrimido(5,4-d)pyrimidine-2,6-diamine, n,n,n',n'-tetrakis(2-chloroethyl)-4,8-di-1-piperidinyl-
CAS Number(s)
  • 135048-70-3
InChIKey RTLMATDNIKWIIO-UHFFFAOYSA-N
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