2-Amino-7-(2-Chloroethyl)-1,7-Dihydro-6H-Purin-6-One

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Properties Simple | Detailed

Formula C7H8ClN5O
IUPAC Name 2-amino-7-(2-chloroethyl)-3,8-dihydropurine-1,2,4,5,8,9-hexaid-6-one
Molecular Mass 213.624 g·mol−1
Heat of Formation 41.2 ± 16.7 kJ·mol−1
Dipole Moment 4.91 ± 1.08 D
Volume 226.32 Å 3
Surface Area 216.05 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-7-(2-chloroethyl)-3h-purin-6-one
  • 6h-purin-6-one, 2-amino-7-(2-chloroethyl)-1,7-dihydro-
  • 7-(beta-chloroethyl)guanine
  • 7-[2-chloroethyl]guanine
  • chloroethylguanine
  • guanine,7-(2-chloroethyl)
CAS Number(s)
  • 22247-87-6
InChIKey SULBUWBTSDCEDY-UHFFFAOYSA-N
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Elements H C N O Cl