4-(Aminomethyl)phenylboronic Acid - CAS 51239-46-4
Catalog: |
BB027378 |
Product Name: |
4-(Aminomethyl)phenylboronic Acid |
CAS: |
51239-46-4 |
Synonyms: |
[4-(aminomethyl)phenyl]boronic acid; [4-(aminomethyl)phenyl]boronic acid |
IUPAC Name: | [4-(aminomethyl)phenyl]boronic acid |
Description: | 4-(Aminomethyl)phenylboronic Acid (CAS# 51239-46-4) is a useful research chemical compound. |
Molecular Weight: | 150.97 |
Molecular Formula: | C7H10NO2B |
Canonical SMILES: | B(C1=CC=C(C=C1)CN)(O)O |
InChI: | InChI=1S/C7H10BNO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,10-11H,5,9H2 |
InChI Key: | KMWLUGSVWULTHR-UHFFFAOYSA-N |
Boiling Point: | 337.7 °C at 760 mmHg |
Density: | 1.18 g/cm3 |
LogP: | -0.47460 |
Publication Number | Title | Priority Date |
US-2016096834-A1 | Heteroaryl compounds as btk inhibitors and uses thereof | 20141006 |
WO-2015189620-A1 | Pyrazolopyrimidine derivatives useful as inhibitors of bruton's tyrosine kinase | 20140611 |
WO-2015171474-A1 | Beta-tetrazolyl-propionic acids as metallo-beta-lactamase inhibitors | 20140509 |
WO-2015161142-A1 | Quinoxaline compounds and uses thereof | 20140418 |
WO-2015140566-A1 | Pyrazolo-pyrimidines as inhibitors of btk | 20140320 |
Complexity: | 113 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 151.0804587 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.0804587 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 66.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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