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Home Other Building Blocks N-4-Methylpiperazinyl 4-boronobenzamide, HCl

N-4-Methylpiperazinyl 4-boronobenzamide, HCl

CAS No.:
913835-43-5
Catalog Number:
AG003BTV
Molecular Formula:
C12H19BClN3O3
Molecular Weight:
299.5616
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$200
- +
5g
95%
In Stock USA
United States
$800
- +
Product Description
Catalog Number:
AG003BTV
Chemical Name:
N-4-Methylpiperazinyl 4-boronobenzamide, HCl
CAS Number:
913835-43-5
Molecular Formula:
C12H19BClN3O3
Molecular Weight:
299.5616
MDL Number:
MFCD09027217
IUPAC Name:
[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]boronic acid;hydrochloride
InChI:
InChI=1S/C12H18BN3O3.ClH/c1-15-6-8-16(9-7-15)14-12(17)10-2-4-11(5-3-10)13(18)19;/h2-5,18-19H,6-9H2,1H3,(H,14,17);1H
InChI Key:
DPTCRDJSYQTDGH-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C(=O)NN1CCN(CC1)C)O.Cl
Properties
Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.121g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
299.562g/mol
Monoisotopic Mass:
299.121g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties