3-Methyl-4-morpholinophenylboronic Acid - CAS 1426245-63-7
Catalog: |
BB009386 |
Product Name: |
3-Methyl-4-morpholinophenylboronic Acid |
CAS: |
1426245-63-7 |
Synonyms: |
[3-methyl-4-(4-morpholinyl)phenyl]boronic acid; (3-methyl-4-morpholin-4-ylphenyl)boronic acid |
IUPAC Name: | (3-methyl-4-morpholin-4-ylphenyl)boronic acid |
Description: | 3-Methyl-4-morpholinophenylboronic Acid (CAS# 1426245-63-7) is a useful research chemical. |
Molecular Weight: | 221.06 |
Molecular Formula: | C11H16NO3B |
Canonical SMILES: | B(C1=CC(=C(C=C1)N2CCOCC2)C)(O)O |
InChI: | InChI=1S/C11H16BNO3/c1-9-8-10(12(14)15)2-3-11(9)13-4-6-16-7-5-13/h2-3,8,14-15H,4-7H2,1H3 |
InChI Key: | SPIHCTVLDYDVCE-UHFFFAOYSA-N |
LogP: | -0.42360 |
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 |
KR-20190110740-A | Novel aryl or heteroaryl triazolone derivatives or its salt and pharmaceutical compositions comprising the same | 20180321 |
US-10562865-B2 | Aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same | 20180321 |
US-2019308944-A1 | Novel aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same | 20180321 |
CN-111886227-A | Novel aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions containing them | 20180321 |
KR-20200123846-A | Novel aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same | 20180321 |
Complexity: | 221 |
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: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.1223235 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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