(Aminomethyl)boronic Acid Pinacol Ester - CAS 298689-75-5
Catalog: |
BB020349 |
Product Name: |
(Aminomethyl)boronic Acid Pinacol Ester |
CAS: |
298689-75-5 |
Synonyms: |
(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine;hydrochloride; (4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine;hydrochloride |
IUPAC Name: | (4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine;hydrochloride |
Description: | (Aminomethyl)boronic Acid Pinacol Ester (CAS# 298689-75-5) is a useful reagent in characterization of an antibacterial agent. |
Molecular Weight: | 157.02 |
Molecular Formula: | C7H16NO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)CN.Cl |
InChI: | InChI=1S/C7H16BNO2.ClH/c1-6(2)7(3,4)11-8(5-9)10-6;/h5,9H2,1-4H3;1H |
InChI Key: | OWIQFIKOPWDOGX-UHFFFAOYSA-N |
LogP: | 2.49710 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110156820-B | Mercaptoamide boronic acid derivatives and application thereof as MBL (sodium Bromide) and/or SBL (SBL) inhibitor | 20190425 |
EP-3381907-A1 | Symmetrical 2-aminophenyl-benzazolyl-5-acetate compounds and their use as anti-heparanase | 20170327 |
EP-3381908-A1 | 2-(4-(4-(bromo-methoxybenzamido)benzylamino)phenyl)benzazole derivatives and their use as anti-heparanase | 20170327 |
WO-2018177857-A1 | Symmetrical 2-aminophenyl-benzazolyl-5-acetate compounds and their use as anti-heparanase | 20170327 |
WO-2018177860-A1 | 2-(4-(4-(bromo-methoxybenzamido)benzylamino)phenyl)benzazole derivatives and their use as anti-heparanase | 20170327 |
Complexity: | 143 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.1040866 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.1040866 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 44.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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