2-(2-{4-[(4R)-4-(Hydroxymethyl)-1,3,2-Dioxaborolan-2-Yl]Phenyl}Ethyl)Guanidine

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Properties Simple | Detailed

Formula C12H18BN3O3
IUPAC Name 1-[2-[4-[(4r)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]phenyl]ethyl]guanidine
Molecular Mass 263.101 g·mol−1
Heat of Formation -654.5 ± 16.7 kJ·mol−1
Dipole Moment 3.44 ± 1.08 D
Volume 320.67 Å 3
Surface Area 307.04 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
Synonyms
  • (r)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)phenethyl)guanidine
  • 2-[2-[4-[(4r)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]phenyl]ethyl]guanidine
  • 2-[2-[4-[(4r)-4-methylol-1,3,2-dioxaborolan-2-yl]phenyl]ethyl]guanidine
InChIKey ZYCNKSJMJFKCBX-LLVKDONJSA-N
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