4-(Dimethylcarbamoyl)phenylboronic Acid Pinacol Ester - CAS 400727-57-3
Catalog: |
BB024282 |
Product Name: |
4-(Dimethylcarbamoyl)phenylboronic Acid Pinacol Ester |
CAS: |
400727-57-3 |
Synonyms: |
N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide; N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide |
IUPAC Name: | N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide |
Description: | 4-(Dimethylcarbamoyl)phenylboronic Acid Pinacol Ester (CAS# 400727-57-3) is a useful research chemical. |
Molecular Weight: | 275.15 |
Molecular Formula: | C15H22NO3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)N(C)C |
InChI: | InChI=1S/C15H22BNO3/c1-14(2)15(3,4)20-16(19-14)12-9-7-11(8-10-12)13(18)17(5)6/h7-10H,1-6H3 |
InChI Key: | OZAOMJCDURFBGT-UHFFFAOYSA-N |
Boiling Point: | 416.1 °C at 760 mmHg |
Density: | 1.06 g/cm3 |
Appearance: | Solid |
MDL: | MFCD05863908 |
LogP: | 1.68760 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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 |
BR-112020012635-A2 | aminopyridine derivatives as phosphatidylinositol phosphate kinase inhibitors | 20171222 |
CN-112020500-A | Aminopyridine derivatives as inhibitors of phosphatidylinositol phosphokinase | 20171222 |
Complexity: | 357 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 275.1692737 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 275.1692737 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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