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CAS 877314-88-0

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4,6-Methano-1,3,2-benzodioxaborole-2-methanamine, hexahydro-N,3a,5,5-tetramethyl-, hydrochloride (1:1), (3aS,4S,6S,7aR)-

Description:
4,6-Methano-1,3,2-benzodioxaborole-2-methanamine, hexahydro-N,3a,5,5-tetramethyl-, hydrochloride (1:1), with CAS number 877314-88-0, is a complex organic compound characterized by its unique bicyclic structure that incorporates a boron atom within a dioxaborole framework. This compound features a hexahydro structure, indicating the presence of a saturated cyclic system, and is further modified by the presence of a methanamine group, which contributes to its amine functionality. The hydrochloride form suggests that it is a salt, enhancing its solubility in polar solvents, particularly water. The stereochemistry of the compound is defined by specific chiral centers, which can influence its biological activity and interaction with other molecules. Such compounds are often of interest in medicinal chemistry due to their potential applications in drug development, particularly in targeting specific biological pathways. Overall, the structural complexity and functional groups present in this compound suggest a range of possible chemical reactivity and biological interactions.
Formula:C12H22BNO2·ClH
InChI:InChI=1S/C12H22BNO2.ClH/c1-11(2)8-5-9(11)12(3)10(6-8)15-13(16-12)7-14-4;/h8-10,14H,5-7H2,1-4H3;1H/t8-,9-,10+,12-;/m0./s1
InChI key:InChIKey=GDKVKXFNNHSLDJ-MIWHGHTISA-N
SMILES:C[C@]12[C@@]3(C(C)(C)[C@@](C3)(C[C@]1(OB(CNC)O2)[H])[H])[H].Cl
Synonyms:
  • 4,6-Methano-1,3,2-benzodioxaborole-2-methanamine, hexahydro-N,3a,5,5-tetramethyl-, hydrochloride (1:1), (3aS,4S,6S,7aR)-
  • 4,6-Methano-1,3,2-benzodioxaborole-2-methanamine, hexahydro-N,3a,5,5-tetramethyl-, hydrochloride, (3aS,4S,6S,7aR)-
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