4-(1-Pyrrolidinyl)phenylboronic Acid - CAS 229009-41-0
Catalog: |
BB017802 |
Product Name: |
4-(1-Pyrrolidinyl)phenylboronic Acid |
CAS: |
229009-41-0 |
Synonyms: |
[4-(1-pyrrolidinyl)phenyl]boronic acid; (4-pyrrolidin-1-ylphenyl)boronic acid |
IUPAC Name: | (4-pyrrolidin-1-ylphenyl)boronic acid |
Description: | 4-(1-Pyrrolidinyl)phenylboronic Acid (CAS# 229009-41-0) is a useful research chemical. |
Molecular Weight: | 191.03 |
Molecular Formula: | C10H14NO2B |
Canonical SMILES: | B(C1=CC=C(C=C1)N2CCCC2)(O)O |
InChI: | InChI=1S/C10H14BNO2/c13-11(14)9-3-5-10(6-4-9)12-7-1-2-8-12/h3-6,13-14H,1-2,7-8H2 |
InChI Key: | HNEBXPPPIFWGHH-UHFFFAOYSA-N |
Boiling Point: | 403.2 ℃ at 760 mmHg |
Density: | 1.19 g/cm3 |
MDL: | MFCD03095137 |
LogP: | 0.03160 |
Publication Number | Title | Priority Date |
WO-2021005222-A1 | Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase | 20190711 |
KR-20190110736-A | Novel 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 |
US-2019322655-A1 | Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
Complexity: | 175 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.1117589 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.1117589 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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