5-Amino-2-Methylphenylboronic Acid Pinacol Ester - CAS 882670-69-1
Catalog: |
BB038802 |
Product Name: |
5-Amino-2-Methylphenylboronic Acid Pinacol Ester |
CAS: |
882670-69-1 |
Synonyms: |
4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline; 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
IUPAC Name: | 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
Description: | 5-Amino-2-Methylphenylboronic Acid Pinacol Ester (CAS# 882670-69-1) is a useful research chemical. |
Molecular Weight: | 233.11 |
Molecular Formula: | C13H20NO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)N)C |
InChI: | InChI=1S/C13H20BNO2/c1-9-6-7-10(15)8-11(9)14-16-12(2,3)13(4,5)17-14/h6-8H,15H2,1-5H3 |
InChI Key: | HPNBWHDRLCVZFV-UHFFFAOYSA-N |
Boiling Point: | 366.2 °C at 760 mmHg |
Melting Point: | 82-86 °C |
Flash Point: | Not applicable |
Purity: | 97 % |
Density: | 1.03 g/cm3 |
Appearance: | White to light brown powder or crystals |
MDL: | MFCD05663859 |
LogP: | 2.45760 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113429440-A | Prodrug of spiro compound, preparation method and application thereof in medicine | 20200323 |
CN-113264945-A | Spiro derivative, preparation method and medical application thereof | 20200217 |
WO-2021081375-A1 | Inhibitors of raf kinases | 20191024 |
US-11098031-B1 | Inhibitors of RAF kinases | 20191024 |
US-2021300904-A1 | Inhibitors of raf kinases | 20191024 |
Complexity: | 277 |
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: | 1 |
Topological Polar Surface Area: | 44.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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