Home Boronic acids 3-[4-(tert-Butoxycarbonyl)piperazin-1-yl]phenylboronic acid pinacol ester

3-[4-(tert-Butoxycarbonyl)piperazin-1-yl]phenylboronic acid pinacol ester

CAS No.:
540752-87-2
Catalog Number:
AG0033KB
Molecular Formula:
C21H33BN2O4
Molecular Weight:
388.3087
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$69
- +
1g
96%
In Stock USA
United States
$144
- +
5g
96%
In Stock USA
United States
$594
- +
Product Description
Catalog Number:
AG0033KB
Chemical Name:
3-[4-(tert-Butoxycarbonyl)piperazin-1-yl]phenylboronic acid pinacol ester
CAS Number:
540752-87-2
Molecular Formula:
C21H33BN2O4
Molecular Weight:
388.3087
MDL Number:
MFCD07781212
IUPAC Name:
tert-butyl 4-[3-(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)24-13-11-23(12-14-24)17-10-8-9-16(15-17)22-27-20(4,5)21(6,7)28-22/h8-10,15H,11-14H2,1-7H3
InChI Key:
RJUYJGNYCCEDAH-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1cccc(c1)B1OC(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