5-Amino-1-hydroxy-2,1-benzoxaborolane - CAS 947165-26-6
Catalog: |
BB041468 |
Product Name: |
5-Amino-1-hydroxy-2,1-benzoxaborolane |
CAS: |
947165-26-6 |
Synonyms: |
1-hydroxy-3H-2,1-benzoxaborol-5-amine; 1-hydroxy-3H-2,1-benzoxaborol-5-amine |
IUPAC Name: | 1-hydroxy-3H-2,1-benzoxaborol-5-amine |
Description: | One of the impurities of Tavaborole, which is effective against lots of fungi. |
Molecular Weight: | 148.95 |
Molecular Formula: | C7H8NO2B |
Canonical SMILES: | B1(C2=C(CO1)C=C(C=C2)N)O |
InChI: | InChI=1S/C7H8BNO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,10H,4,9H2 |
InChI Key: | SBHOFSMRVTYWOW-UHFFFAOYSA-N |
Purity: | 98 % |
Appearance: | Solid |
LogP: | 0.06770 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021003501-A1 | Chemical compounds | 20190703 |
US-2018258106-A1 | Boron-containing small molecules for inhibiting activity of a receptor-like protein tyrosine phosphatase | 20170309 |
US-10973835-B2 | Boron-containing small molecules for inhibiting activity of a receptor-like protein tyrosine phosphatase | 20170309 |
CA-3014757-A1 | Benzoxaborole-containing coating resistant to cellulose-supportable fungus | 20150806 |
CA-3014757-C | Benzoxaborole-containing coating resistant to cellulose-supportable fungus | 20150806 |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 149.0648087 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 149.0648087 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 55.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Amines and Anilines
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