Home Boronic acids 2-[4-(N-Boc)piperazin-1-yl]phenylboronic acid pinacol ester

2-[4-(N-Boc)piperazin-1-yl]phenylboronic acid pinacol ester

CAS No.:
1073354-59-2
Catalog Number:
AG007ENH
Molecular Formula:
C21H33BN2O4
Molecular Weight:
388.3087
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$100
- +
1g
95%
In Stock USA
United States
$225
- +
5g
98%
In Stock USA
United States
$982
- +
Product Description
Catalog Number:
AG007ENH
Chemical Name:
2-[4-(N-Boc)piperazin-1-yl]phenylboronic acid pinacol ester
CAS Number:
1073354-59-2
Molecular Formula:
C21H33BN2O4
Molecular Weight:
388.3087
MDL Number:
MFCD08669542
IUPAC Name:
tert-butyl 4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine-1-carboxylate
InChI:
InChI=1S/C21H33BN2O4/c1-19(2,3)26-18(25)24-14-12-23(13-15-24)17-11-9-8-10-16(17)22-27-20(4,5)21(6,7)28-22/h8-11H,12-15H2,1-7H3
InChI Key:
NMBIQPOMVHWFBF-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1ccccc1B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
551  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.253g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
388.315g/mol
Monoisotopic Mass:
388.253g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties