6-(Aminomethyl)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole - CAS 1262279-06-0
Catalog: |
BB006538 |
Product Name: |
6-(Aminomethyl)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole |
CAS: |
1262279-06-0 |
Synonyms: |
(1-hydroxy-3H-2,1-benzoxaborol-6-yl)methanamine; (1-hydroxy-3H-2,1-benzoxaborol-6-yl)methanamine |
IUPAC Name: | (1-hydroxy-3H-2,1-benzoxaborol-6-yl)methanamine |
Description: | 6-(Aminomethyl)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole (CAS# 1262279-06-0) is used as a reactant in the synthetic preparation of P4-benzoxaborole-substituted macrocyclic inhibitors of HCV NS3 protease. |
Molecular Weight: | 162.98 |
Molecular Formula: | C8H10NO2B |
Canonical SMILES: | B1(C2=C(CO1)C=CC(=C2)CN)O |
InChI: | InChI=1S/C8H10BNO2/c10-4-6-1-2-7-5-12-9(11)8(7)3-6/h1-3,11H,4-5,10H2 |
InChI Key: | BZQYHQXQCMJSLP-UHFFFAOYSA-N |
LogP: | 0.86530 |
Publication Number | Title | Priority Date |
EP-3494146-A1 | Double crosslinked glycosaminoglycans | 20161223 |
AU-2017307330-A1 | Double crosslinked glycosaminoglycans | 20160803 |
AU-2017307331-A1 | Method of crosslinking glycosaminoglycans | 20160803 |
US-2019169375-A1 | Method of crosslinking glycosaminoglycans | 20160803 |
US-2020002441-A1 | Method of crosslinking glycosaminoglycans | 20160803 |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.0804587 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.0804587 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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