3-Amino-2-methylphenylboronic Acid Pinacol Ester - CAS 882678-96-8
Catalog: |
BB038807 |
Product Name: |
3-Amino-2-methylphenylboronic Acid Pinacol Ester |
CAS: |
882678-96-8 |
Synonyms: |
2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline; 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
IUPAC Name: | 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
Description: | 3-Amino-2-methylphenylboronic Acid Pinacol Ester (CAS# 882678-96-8) 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/c1-9-10(7-6-8-11(9)15)14-16-12(2,3)13(4,5)17-14/h6-8H,15H2,1-5H3 |
InChI Key: | JMKMGPGFYMANCA-UHFFFAOYSA-N |
Boiling Point: | 365.3 °C at 760 mmHg |
Density: | 1.03 g/cm3 |
MDL: | MFCD11054038 |
LogP: | 2.45760 |
GHS Hazard Statement: | H302 (50%): 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 |
CN-113248492-A | Heterocycle substituted nitrogen-containing six-membered heterocycle derivative, preparation method and medical application thereof | 20200210 |
WO-2021147940-A1 | Pd-1/pd-l1 inhibitor, preparation method therefor, and use thereof | 20200121 |
CN-113348170-A | Biphenyl derivative inhibitor, preparation method and application thereof | 20200103 |
WO-2021136354-A1 | Biphenyl derivative inhibitor, preparation method therefor and use thereof | 20200103 |
US-2021130325-A1 | Heteroaryl-biphenyl amides for the treatment of pd-l1 diseases | 20191016 |
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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