4-(Aminomethyl)phenylboronic Acid Pinacol Ester - CAS 138500-88-6
Catalog: |
BB008775 |
Product Name: |
4-(Aminomethyl)phenylboronic Acid Pinacol Ester |
CAS: |
138500-88-6 |
Synonyms: |
[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine; [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine |
IUPAC Name: | [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine |
Description: | 4-(Aminomethyl)phenylboronic Acid Pinacol Ester (CAS# 138500-88-6) is a useful research chemical. |
Molecular Weight: | 233.11 |
Molecular Formula: | C13H20NO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CN |
InChI: | InChI=1S/C13H20BNO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-10(9-15)6-8-11/h5-8H,9,15H2,1-4H3 |
InChI Key: | FPUVAGQUKWMDKN-UHFFFAOYSA-N |
Boiling Point: | 342.6 ℃ at 760 mmHg |
Appearance: | Low melting solid |
Storage: | Keep in dark place, Inert atmosphere, 2-8 ℃ |
MDL: | MFCD02179455 |
LogP: | 2.94680 |
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-2021088885-A1 | Compound targeting type i prmt, preparation method therefor, and application thereof | 20191107 |
CN-111205310-A | Heterocyclic fused pyrimidine derivative, and pharmaceutical composition and application thereof | 20181122 |
WO-2020103897-A1 | Heterocyclic fused pyrimidine derivative, pharmaceutical composition thereof, and application thereof | 20181122 |
BR-112020003200-A2 | macrocyclic mcl-1 inhibitors and methods of use | 20170815 |
US-2020239494-A1 | Macrocyclic mcl-1 inhibitors and methods of use | 20170815 |
Complexity: | 257 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.1587090 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.1587090 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 44.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Boronic Acids and Esters
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