2-{4-[(4R)-4-(Hydroxymethyl)-1,3,2-Dioxaborolan-2-Yl]Benzyl}Guanidinato(2-)

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Properties Simple | Detailed

Formula C11H16BN3O3
IUPAC Name 2-[[4-[(4r)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]phenyl]methyl]guanidine
Molecular Mass 249.074 g·mol−1
Heat of Formation -627.1 ± 16.7 kJ·mol−1
Dipole Moment 2.72 ± 1.08 D
Volume 301.11 Å 3
Surface Area 286.07 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • (r)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)benzyl)guanidine
  • 2-[4-[(4r)-4-methylol-1,3,2-dioxaborolan-2-yl]benzyl]guanidine
  • 2-[[4-[(4r)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]phenyl]methyl]guanidine
InChIKey IIZOWFNBOXPJES-SNVBAGLBSA-N
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