Home Boronic acids 3-(2-(Dimethylamino)ethylcarbamoyl)phenylboronic acid, pinacol ester

3-(2-(Dimethylamino)ethylcarbamoyl)phenylboronic acid, pinacol ester

CAS No.:
840521-76-8
Catalog Number:
AG004T7O
Molecular Formula:
C17H27BN2O3
Molecular Weight:
318.2189
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$90
- +
5g
96%
In Stock USA
United States
$432
- +
Product Description
Catalog Number:
AG004T7O
Chemical Name:
3-(2-(Dimethylamino)ethylcarbamoyl)phenylboronic acid, pinacol ester
CAS Number:
840521-76-8
Molecular Formula:
C17H27BN2O3
Molecular Weight:
318.2189
MDL Number:
MFCD05865086
IUPAC Name:
N-[2-(dimethylamino)ethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
InChI:
InChI=1S/C17H27BN2O3/c1-16(2)17(3,4)23-18(22-16)14-9-7-8-13(12-14)15(21)19-10-11-20(5)6/h7-9,12H,10-11H2,1-6H3,(H,19,21)
InChI Key:
KQUHTIHQDGBEMM-UHFFFAOYSA-N
SMILES:
CN(CCNC(=O)c1cccc(c1)B1OC(C(O1)(C)C)(C)C)C
Properties
Complexity:
410  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.211g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
318.224g/mol
Monoisotopic Mass:
318.211g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties