Isoquinoline-5-boronic Acid - CAS 371766-08-4
Catalog: |
BB023218 |
Product Name: |
Isoquinoline-5-boronic Acid |
CAS: |
371766-08-4 |
Synonyms: |
5-isoquinolinylboronic acid; isoquinolin-5-ylboronic acid |
IUPAC Name: | isoquinolin-5-ylboronic acid |
Description: | Isoquinoline-5-boronic Acid (CAS# 371766-08-4) is a useful research chemical. |
Molecular Weight: | 172.98 |
Molecular Formula: | C9H8NO2B |
Canonical SMILES: | B(C1=C2C=CN=CC2=CC=C1)(O)O |
InChI: | InChI=1S/C9H8BNO2/c12-10(13)9-3-1-2-7-6-11-5-4-8(7)9/h1-6,12-13H |
InChI Key: | XKEYHBLSCGBBGU-UHFFFAOYSA-N |
Boiling Point: | 435.6 °C at 760 mmHg |
Melting Point: | 166-188 °C |
Purity: | ≥ 95.0 % |
Density: | 1.28 g/cm3 |
Appearance: | Solid |
Storage: | 2-8 °C |
MDL: | MFCD03839356 |
LogP: | -0.08540 |
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 |
WO-2021189036-A1 | Taf1 inhibitors | 20200320 |
US-2021269434-A1 | Tricyclic compounds as inhibitors of kras | 20200110 |
WO-2021096589-A1 | Small molecules polymerase inhibitors | 20191115 |
WO-2021064186-A1 | Novel pyridin-2(1h)one derivatives, their preparation and their use for the treatment of pain | 20191004 |
WO-2021023813-A1 | 5-heteroaryl-pyridin-2-amine confounds as neuropeptide ff receptor antagonists | 20190806 |
PMID | Publication Date | Title | Journal |
22272238 | 20120101 | Non inflammatory boronate based glucose-responsive insulin delivery systems | PloS one |
Complexity: | 177 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.0648087 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.0648087 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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