5-Benzyl-2,4-Pyrimidinediamine

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Properties Simple | Detailed

Formula C11H12N4
IUPAC Name 5-benzylpyrimidine-2,4-diamine
Molecular Mass 200.240 g·mol−1
Heat of Formation 200.2 ± 16.7 kJ·mol−1
Dipole Moment 1.94 ± 1.08 D
Volume 243.76 Å 3
Surface Area 228.33 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 0.07 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4-diamino-5-benzylpyrimidine
  • 2,4-pyrimidinediamine, 5-(phenylmethyl)-
  • 5-(phenylmethyl)pyrimidine-2,4-diamine
  • 5-benzyl-pyrimidine-2,4-diamine
  • [2-amino-5-(benzyl)pyrimidin-4-yl]amine
CAS Number(s)
  • 7319-45-1
InChIKey XHPZVBGIPQQTQW-UHFFFAOYSA-N
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