3-[2-(Dimethylamino)ethoxy]phenylboronic Acid Pinacol Ester - CAS 925940-40-5
Catalog: |
BB040565 |
Product Name: |
3-[2-(Dimethylamino)ethoxy]phenylboronic Acid Pinacol Ester |
CAS: |
925940-40-5 |
Synonyms: |
N,N-dimethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethanamine; N,N-dimethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethanamine |
IUPAC Name: | N,N-dimethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethanamine |
Description: | 3-[2-(Dimethylamino)ethoxy]phenylboronic Acid Pinacol Ester (CAS# 925940-40-5) is a useful research chemical. |
Molecular Weight: | 291.19 |
Molecular Formula: | C16H26NO3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)OCCN(C)C |
InChI: | InChI=1S/C16H26BNO3/c1-15(2)16(3,4)21-17(20-15)13-8-7-9-14(12-13)19-11-10-18(5)6/h7-9,12H,10-11H2,1-6H3 |
InChI Key: | QEVHVNXLEMJPMB-UHFFFAOYSA-N |
MDL: | MFCD09746202 |
LogP: | 1.92620 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019166639-A1 | Substituted benzodiazoles and use thereof in therapy | 20180301 |
CN-112074511-A | Substituted benzodiazoles and their use in therapy | 20180301 |
EP-3759091-A1 | Substituted benzodiazoles and use thereof in therapy | 20180301 |
US-2021002250-A1 | Substituted benzodiazoles and use thereof in therapy | 20180301 |
EP-2283020-A1 | Substituted imidazopyr-and imidazotri-azines | 20080519 |
Complexity: | 330 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 291.2005739 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 291.2005739 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 30.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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