4-Amino-3-methoxyphenylboronic Acid Pinacol Ester - CAS 461699-81-0
Catalog: |
BB026086 |
Product Name: |
4-Amino-3-methoxyphenylboronic Acid Pinacol Ester |
CAS: |
461699-81-0 |
Synonyms: |
2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline; 2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
IUPAC Name: | 2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
Description: | 4-Amino-3-methoxyphenylboronic Acid Pinacol Ester (CAS# 461699-81-0) is a useful research chemical. |
Molecular Weight: | 249.11 |
Molecular Formula: | C13H20NO3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)N)OC |
InChI: | InChI=1S/C13H20BNO3/c1-12(2)13(3,4)18-14(17-12)9-6-7-10(15)11(8-9)16-5/h6-8H,15H2,1-5H3 |
InChI Key: | KEMUFKXFCINKAA-UHFFFAOYSA-N |
Boiling Point: | 373.1 °C at 760 mmHg |
Density: | 1.08 g/cm3 |
Appearance: | Solid |
LogP: | 2.15780 |
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 |
CN-111263756-A | RAD51 inhibitors | 20170711 |
US-2020129484-A1 | Rad51 inhibitors | 20170711 |
CN-107849050-B | Compound (I) | 20150521 |
AU-2016261031-A1 | Substituted quinoxaline derivatives | 20150513 |
EP-3294729-A1 | Substituted quinoxaline derivatives | 20150513 |
Complexity: | 293 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.1536237 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.1536237 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 53.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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