4-[2-(Dimethylamino)ethylcarbamoyl]phenylboronic Acid Hydrochloride - CAS 850568-22-8
Catalog: |
BB037436 |
Product Name: |
4-[2-(Dimethylamino)ethylcarbamoyl]phenylboronic Acid Hydrochloride |
CAS: |
850568-22-8 |
Synonyms: |
[4-[[2-(dimethylamino)ethylamino]-oxomethyl]phenyl]boronic acid;hydrochloride; [4-[2-(dimethylamino)ethylcarbamoyl]phenyl]boronic acid;hydrochloride |
IUPAC Name: | [4-[2-(dimethylamino)ethylcarbamoyl]phenyl]boronic acid;hydrochloride |
Description: | 4-[2-(Dimethylamino)ethylcarbamoyl]phenylboronic Acid Hydrochloride (CAS# 850568-22-8) is a useful research chemical. |
Molecular Weight: | 272.54 |
Molecular Formula: | C11H18ClN2O3B |
Canonical SMILES: | B(C1=CC=C(C=C1)C(=O)NCCN(C)C)(O)O.Cl |
InChI: | InChI=1S/C11H17BN2O3.ClH/c1-14(2)8-7-13-11(15)9-3-5-10(6-4-9)12(16)17;/h3-6,16-17H,7-8H2,1-2H3,(H,13,15);1H |
InChI Key: | UJXAREBBWZJMPR-UHFFFAOYSA-N |
Boiling Point: | 476 °C at 760 mmHg |
Appearance: | Solid |
LogP: | -0.14930 |
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 |
US-2020405696-A1 | Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase | 20180115 |
AU-2016347456-A1 | Peptide macrocycles against acinetobacter baumannii | 20151027 |
AU-2016347456-B2 | Peptide macrocycles against acinetobacter baumannii | 20151027 |
EP-3368544-A1 | Peptide macrocycles against acinetobacter baumannii | 20151027 |
EP-3368544-B1 | Peptide macrocycles against acinetobacter baumannii | 20151027 |
Complexity: | 241 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 272.1099003 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 272.1099003 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 72.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Boronic Acids and Esters
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