4-(2-Aminoethyl)phenylboronic Acid - CAS 68162-46-9
Catalog: |
BB033485 |
Product Name: |
4-(2-Aminoethyl)phenylboronic Acid |
CAS: |
68162-46-9 |
Synonyms: |
[4-(2-aminoethyl)phenyl]boronic acid; [4-(2-aminoethyl)phenyl]boronic acid |
IUPAC Name: | [4-(2-aminoethyl)phenyl]boronic acid |
Description: | 4-(2-Aminoethyl)phenylboronic Acid (CAS# 68162-46-9 ) is a useful research chemical. |
Molecular Weight: | 165.00 |
Molecular Formula: | C8H12NO2B |
Canonical SMILES: | B(C1=CC=C(C=C1)CCN)(O)O |
InChI: | InChI=1S/C8H12BNO2/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4,11-12H,5-6,10H2 |
InChI Key: | ZUWSXKQTYHDETD-UHFFFAOYSA-N |
LogP: | -0.43210 |
Publication Number | Title | Priority Date |
JP-2019524642-A | Tricyclic heterocylic derivatives | 20160524 |
AU-2016317806-A1 | Heteroaryl compounds and their use as therapeutic drugs | 20150831 |
CA-2995675-A1 | Heteroaryl compounds and their use as therapeutic drugs | 20150831 |
EP-3344613-A1 | Heteroaryl compounds and their use as therapeutic drugs | 20150831 |
EP-3344613-B1 | Heteroaryl compounds and their use as therapeutic drugs | 20150831 |
Complexity: | 124 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.0961088 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.0961088 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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