5-Chloro-6-{[(3,4-Dichlorophenyl)Amino]Methyl}-2,4-Quinazolinediamine

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Properties Simple | Detailed

Formula C15H12Cl3N5
IUPAC Name 5-chloro-6-[(3,4-dichloroanilino)methyl]quinazoline-2,4-diamine
Molecular Mass 368.648 g·mol−1
Heat of Formation 177.2 ± 16.7 kJ·mol−1
Dipole Moment 4.30 ± 1.08 D
Volume 376.54 Å 3
Surface Area 329.24 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy 2.01 ± eV
Point Group Symmetry C1
Synonyms
  • (2,4-diamino-5-chloro-quinazolin-6-yl)methyl-(3,4-dichlorophenyl)amine
  • 2,4-quinazolinediamine, 5-chloro-6-[[(3,4-dichlorophenyl)amino]methyl]-
  • 40886a
  • 5-chloro-6-[[(3,4-dichlorophenyl)amino]methyl]-2,4-quinozolinediamine
  • 5-chloro-6-[[(3,4-dichlorophenyl)amino]methyl]quinazoline-2,4-diamine
  • antibiotic 40886a
  • b 230928
  • lymphosarcin
  • polyene antibiotic b230928
CAS Number(s)
  • 59318-71-7
  • 52128-43-5
InChIKey KBKJXVMKCWBZLB-UHFFFAOYSA-N
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Elements H C N Cl