[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]boronic acid;hydrochloride


Chemical Name: [4-[2-(dimethylamino)ethylcarbamoyl]phenyl]boronic acid;hydrochloride
CAS Number: 850568-22-8
Product Number: AG004SI7(AGN-PC-0712TM)
Synonyms:
MDL No: MFCD06656014
Molecular Formula: C11H18BClN2O3
Molecular Weight: 272.5362

Identification/Properties


Properties
MP:
186-190 °C
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
272.536g/mol
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
272.11g/mol
Monoisotopic Mass:
272.11g/mol
Topological Polar Surface Area:
72.8A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
241
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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