n-Propylboronic Acid - CAS 17745-45-8
Catalog: |
BB013291 |
Product Name: |
n-Propylboronic Acid |
CAS: |
17745-45-8 |
Synonyms: |
propylboronic acid; propylboronic acid |
IUPAC Name: | propylboronic acid |
Description: | n-Propylboronic Acid (CAS# 17745-45-8) is a chemical reagent used in the synthesis of pharmaceutical agents such as inhibitors of mTOR for use in anti-tumor treatments. Also used to synthesize endothelial lipase inhibitors. |
Molecular Weight: | 87.91 |
Molecular Formula: | C3H9O2B |
Canonical SMILES: | B(CCC)(O)O |
InChI: | InChI=1S/C3H9BO2/c1-2-3-4(5)6/h5-6H,2-3H2,1H3 |
InChI Key: | JAQOMSTTXPGKTN-UHFFFAOYSA-N |
Boiling Point: | 170.8 °C at 760 mmHg |
Density: | 0.925 g/cm3 |
MDL: | MFCD01074564 |
LogP: | -0.13080 |
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 |
CN-112225668-A | Synthetic method of alpha-alkyl glycine compound | 20200930 |
CN-111560017-A | Dipeptide mimetic based on azabicyclo [ X, Y, 0] alkanone framework and preparation method thereof | 20200525 |
WO-2021200090-A1 | Olefin-based resin, production method therefor, propylene-based resin composition, and molded object comprising said propylene-based resin composition | 20200331 |
JP-2021151993-A | Method for producing olefin multimer | 20200318 |
JP-2021151994-A | Method for producing olefin multimer | 20200318 |
Complexity: | 30 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 88.0695597 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 88.0695597 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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