N-Methyl-1-[4-(1H-Purin-6-Yl)Phenyl]Methanamine

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Properties Simple | Detailed

Formula C13H13N5
IUPAC Name n-methyl-1-[4-(9h-purine-1,3,7-triium-6-yl)phenyl]methanamine
Molecular Mass 239.276 g·mol−1
Heat of Formation 400.8 ± 16.7 kJ·mol−1
Dipole Moment 1.87 ± 1.08 D
Volume 281.92 Å 3
Surface Area 268.21 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 1.84 ± eV
Point Group Symmetry C1
InChIKey VRGSDHJXBVCQEL-UHFFFAOYSA-O
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Elements H C N