4-(Diethylcarbamoyl)phenylboronic Acid - CAS 389621-80-1
Catalog: |
BB023810 |
Product Name: |
4-(Diethylcarbamoyl)phenylboronic Acid |
CAS: |
389621-80-1 |
Synonyms: |
[4-[diethylamino(oxo)methyl]phenyl]boronic acid; [4-(diethylcarbamoyl)phenyl]boronic acid |
IUPAC Name: | [4-(diethylcarbamoyl)phenyl]boronic acid |
Description: | 4-(Diethylcarbamoyl)phenylboronic Acid (CAS# 389621-80-1) is a useful research chemical. |
Molecular Weight: | 221.06 |
Molecular Formula: | C11H16NO3B |
Canonical SMILES: | B(C1=CC=C(C=C1)C(=O)N(CC)CC)(O)O |
InChI: | InChI=1S/C11H16BNO3/c1-3-13(4-2)11(14)9-5-7-10(8-6-9)12(15)16/h5-8,15-16H,3-4H2,1-2H3 |
InChI Key: | ZCGVBHIMRVYWOH-UHFFFAOYSA-N |
Boiling Point: | 423.3 °C at 760 mmHg |
Density: | 1.14 g/cm3 |
Appearance: | Solid |
MDL: | MFCD03411949 |
LogP: | -0.15160 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2015218124-A1 | Catechol o-methyltransferase activity inhibiting compounds | 20120524 |
EP-2324032-A2 | Inhibitors of beta-secretase | 20080819 |
US-2011218192-A1 | Inhibitors Of Beta-Secretase | 20080819 |
US-2013317014-A1 | Inhibitors of beta-secretase | 20080819 |
US-8450308-B2 | Inhibitors of beta-secretase | 20080819 |
PMID | Publication Date | Title | Journal |
20710065 | 20100811 | Phenylboronic-acid-based carbohydrate binders as antiviral therapeutics: monophenylboronic acids | Antiviral chemistry & chemotherapy |
Complexity: | 223 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.1223235 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.1223235 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 60.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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