4-(N,N-Dimethylaminomethyl)phenylboronic Acid Pinacol Ester - CAS 878197-87-6
Catalog: |
BB038648 |
Product Name: |
4-(N,N-Dimethylaminomethyl)phenylboronic Acid Pinacol Ester |
CAS: |
878197-87-6 |
Synonyms: |
N,N-dimethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine; N,N-dimethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine |
IUPAC Name: | N,N-dimethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine |
Description: | 4-(N,N-Dimethylaminomethyl)phenylboronic Acid Pinacol Ester (CAS# 878197-87-6) is a useful research chemical. |
Molecular Weight: | 261.17 |
Molecular Formula: | C15H24NO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CN(C)C |
InChI: | InChI=1S/C15H24BNO2/c1-14(2)15(3,4)19-16(18-14)13-9-7-12(8-10-13)11-17(5)6/h7-10H,11H2,1-6H3 |
InChI Key: | SATLWVSJANHADH-UHFFFAOYSA-N |
MDL: | MFCD04971190 |
LogP: | 2.04740 |
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-2021055612-A1 | Substituted imidazole carboxamides and their use in the treatment of medical disorders | 20190917 |
US-2020199131-A1 | Imidazopyridazine and imidazopyridine compounds and uses thereof | 20181220 |
WO-2019006548-A1 | FLUORINATED 2,4-DIAMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF TYROSINE KINASE MER (MERTK) AND USES THEREOF | 20170704 |
EP-3414228-B1 | Chemical compounds as inhibitors of kinase activity | 20160212 |
JP-2019504858-A | Compounds as inhibitors of kinase activity | 20160212 |
Complexity: | 293 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.1900092 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.1900092 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 21.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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