Home Boronic acids 3-(4-Boc-1-piperazinylmethyl)benzeneboronic acid pinacol ester

3-(4-Boc-1-piperazinylmethyl)benzeneboronic acid pinacol ester

CAS No.:
883738-19-0
Catalog Number:
AG00H11P
Molecular Formula:
C22H35BN2O4
Molecular Weight:
402.3353
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$37
- +
5g
98%
In Stock USA
United States
$150
- +
25g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG00H11P
Chemical Name:
3-(4-Boc-1-piperazinylmethyl)benzeneboronic acid pinacol ester
CAS Number:
883738-19-0
Molecular Formula:
C22H35BN2O4
Molecular Weight:
402.3353
MDL Number:
MFCD16294542
IUPAC Name:
tert-butyl 4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine-1-carboxylate
InChI:
InChI=1S/C22H35BN2O4/c1-20(2,3)27-19(26)25-13-11-24(12-14-25)16-17-9-8-10-18(15-17)23-28-21(4,5)22(6,7)29-23/h8-10,15H,11-14,16H2,1-7H3
InChI Key:
KBHWOVSSXKGKLY-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)Cc1cccc(c1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
566  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.269g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.342g/mol
Monoisotopic Mass:
402.269g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties