4-[2-(Dimethylamino)ethoxy]phenylboronic Acid Pinacol Ester - CAS 873078-93-4
Catalog: |
BB038370 |
Product Name: |
4-[2-(Dimethylamino)ethoxy]phenylboronic Acid Pinacol Ester |
CAS: |
873078-93-4 |
Synonyms: |
N,N-dimethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethanamine; N,N-dimethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethanamine |
IUPAC Name: | N,N-dimethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethanamine |
Description: | 4-[2-(Dimethylamino)ethoxy]phenylboronic Acid Pinacol Ester (CAS# 873078-93-4) is a useful research chemical. |
Molecular Weight: | 291.19 |
Molecular Formula: | C16H26NO3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OCCN(C)C |
InChI: | InChI=1S/C16H26BNO3/c1-15(2)16(3,4)21-17(20-15)13-7-9-14(10-8-13)19-12-11-18(5)6/h7-10H,11-12H2,1-6H3 |
InChI Key: | JUVPIBHZWGVRFL-UHFFFAOYSA-N |
MDL: | MFCD09475840 |
LogP: | 1.92620 |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021194326-A1 | Aminopyrimidine derivatives and their use as aryl hydrocarbon receptor modulators | 20200327 |
WO-2021130638-A1 | Diacylglycerol kinase modulating compounds | 20191224 |
TW-202016109-A | Pyrrolo[2,3-B]pyridine or pyrrolo[2,3-B]pyrazine as an HPK1 inhibitor and uses thereof | 20180613 |
AU-2018347783-A1 | MAP4K4 inhibitors | 20171013 |
WO-2019073253-A1 | INHIBITORS OF MAP4K4 | 20171013 |
Complexity: | 322 |
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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