N'-[2-({4-[Bis(4-Chlorophenyl)Methyl]-1-Piperazinyl}Methyl)-4-Quinazolinyl]-N,N-Dimethyl-1,3-Propanediamine

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Properties Simple | Detailed

Formula C31H36Cl2N6
IUPAC Name n-[2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-yl]-n',n'-dimethyl-propane-1,3-diamine
Molecular Mass 563.564 g·mol−1
Heat of Formation 351.4 ± 16.7 kJ·mol−1
Dipole Moment 3.04 ± 1.08 D
Volume 682.26 Å 3
Surface Area 517.98 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 2.37 ± eV
Point Group Symmetry C1
Synonyms
  • [2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-yl]-(3-dimethylaminopropyl)amine
  • n-[2-[[4-[bis(4-chlorophenyl)methyl]-1-piperazinyl]methyl]-4-quinazolinyl]-n',n'-dimethylpropane-1,3-diamine
  • n-[2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-yl]-n',n'-dimethyl-propane-1,3-diamine
InChIKey NCAJLQDPTZBGJV-UHFFFAOYSA-N
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Elements H C N Cl