4-Quinolineboronic Acid Pinacol Ester - CAS 1035458-54-8
Catalog: |
BB001173 |
Product Name: |
4-Quinolineboronic Acid Pinacol Ester |
CAS: |
1035458-54-8 |
Synonyms: |
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline; 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline |
IUPAC Name: | 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline |
Description: | 4-Quinolineboronic Acid Pinacol Ester (CAS# 1035458-54-8) is a useful research chemical. |
Molecular Weight: | 255.12 |
Molecular Formula: | C15H18NO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=NC3=CC=CC=C23 |
InChI: | InChI=1S/C15H18BNO2/c1-14(2)15(3,4)19-16(18-14)12-9-10-17-13-8-6-5-7-11(12)13/h5-10H,1-4H3 |
InChI Key: | LJFSIDNUMPTTAF-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD05155221 |
LogP: | 2.53400 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021143335-A1 | Organic compound and organic light-emitting element | 20191112 |
US-2020199131-A1 | Imidazopyridazine and imidazopyridine compounds and uses thereof | 20181220 |
TW-202039502-A | Imidazopyridazine and imidazopyridine compounds and uses thereof | 20181220 |
KR-20210116488-A | Imidazopyridazine and imidazopyridine compounds as inhibitors of activin receptor-like kinase-2 | 20181220 |
JP-2020518566-A | Novel ALK2 inhibitor and method for inhibiting BMP signaling | 20170427 |
Complexity: | 329 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 255.1430590 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.1430590 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 31.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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