4-[[3-(Dimethylamino)propyl]carbamoyl]phenylboronic Acid Pinacol Ester - CAS 832114-10-0
Catalog: |
BB036990 |
Product Name: |
4-[[3-(Dimethylamino)propyl]carbamoyl]phenylboronic Acid Pinacol Ester |
CAS: |
832114-10-0 |
Synonyms: |
N-[3-(dimethylamino)propyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide; N-[3-(dimethylamino)propyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide |
IUPAC Name: | N-[3-(dimethylamino)propyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide |
Description: | 4-[[3-(Dimethylamino)propyl]carbamoyl]phenylboronic Acid Pinacol Ester (CAS# 832114-10-0) is a useful research chemical. |
Molecular Weight: | 332.25 |
Molecular Formula: | C18H29N2O3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)NCCCN(C)C |
InChI: | InChI=1S/C18H29BN2O3/c1-17(2)18(3,4)24-19(23-17)15-10-8-14(9-11-15)16(22)20-12-7-13-21(5)6/h8-11H,7,12-13H2,1-6H3,(H,20,22) |
InChI Key: | KDABIGMFEYWURZ-UHFFFAOYSA-N |
Boiling Point: | 472.7 °C at 760 mmHg |
Density: | 1.05 g/cm3 |
Appearance: | Solid |
LogP: | 2.05820 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2012382373-A1 | Pyridinone and pyridazinone derivatives | 20120612 |
AU-2013274465-A1 | Pyridinone and pyridazinone derivatives | 20120612 |
EP-2858990-B1 | Pyridinone and pyridazinone derivatives | 20120612 |
RU-2632915-C2 | Pyridinone and pyridazinone derivatives | 20120612 |
US-2013331382-A1 | Pyridinone and Pyridazinone Derivatives | 20120612 |
Complexity: | 416 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 332.227123 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 332.227123 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 50.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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