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

3-(3-(Dimethylamino)propylcarbamoyl)phenylboronic acid, pinacol ester

CAS No.:
936250-16-7
Catalog Number:
AG00GT0J
Molecular Formula:
C18H29BN2O3
Molecular Weight:
332.2455
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$147
- +
5g
95%
In Stock USA
United States
$548
- +
Product Description
Catalog Number:
AG00GT0J
Chemical Name:
3-(3-(Dimethylamino)propylcarbamoyl)phenylboronic acid, pinacol ester
CAS Number:
936250-16-7
Molecular Formula:
C18H29BN2O3
Molecular Weight:
332.2455
MDL Number:
MFCD05865085
IUPAC Name:
N-[3-(dimethylamino)propyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
InChI:
InChI=1S/C18H29BN2O3/c1-17(2)18(3,4)24-19(23-17)15-10-7-9-14(13-15)16(22)20-11-8-12-21(5)6/h7,9-10,13H,8,11-12H2,1-6H3,(H,20,22)
InChI Key:
VWYIKCSVDFBBTJ-UHFFFAOYSA-N
SMILES:
CN(CCCNC(=O)c1cccc(c1)B1OC(C(O1)(C)C)(C)C)C
Properties
Complexity:
424  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.227g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
332.251g/mol
Monoisotopic Mass:
332.227g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties