6-{[Bis(2-Chloroethyl)Amino]Methyl}-2,4-Pteridinediamine

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Properties Simple | Detailed

Formula C11H15Cl2N7
IUPAC Name 6-[bis(2-chloroethyl)aminomethyl]pteridine-2,4-diamine
Molecular Mass 316.190 g·mol−1
Heat of Formation 181.5 ± 16.7 kJ·mol−1
Dipole Moment 4.51 ± 1.08 D
Volume 343.27 Å 3
Surface Area 297.59 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 2.16 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4-diamino-6-(bis-2-chloroethyl)aminomethylpteridine
  • 2,4-pteridinediamine, 6-((bis(2-chloroethyl)amino)methyl)-
  • 2,4-pteridinediamine, 6-((bis(2-chloroethyl)amino)methyl)-, (r)-
  • 6-((bis(2-chloroethyl)amino)methyl)-2,4-pteridinediamine
  • bis(2-chloroethyl)-[(2,4-diaminopteridin-6-yl)methyl]amine
CAS Number(s)
  • 93129-27-2
InChIKey PPFFPPFQAFBNEJ-UHFFFAOYSA-N
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Elements H C N Cl