Home Boronic acids 4-(4-Boc-Piperazinomethyl)phenylboronic acid, pinacol ester

4-(4-Boc-Piperazinomethyl)phenylboronic acid, pinacol ester

CAS No.:
936694-19-8
Catalog Number:
AG00H2TC
Molecular Formula:
C22H35BN2O4
Molecular Weight:
402.3353
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$47
- +
1g
95%
In Stock USA
United States
$50
- +
5g
95%
In Stock USA
United States
$188
- +
10g
95%
In Stock USA
United States
$313
- +
25g
95%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG00H2TC
Chemical Name:
4-(4-Boc-Piperazinomethyl)phenylboronic acid, pinacol ester
CAS Number:
936694-19-8
Molecular Formula:
C22H35BN2O4
Molecular Weight:
402.3353
MDL Number:
MFCD16294502
IUPAC Name:
tert-butyl 4-[[4-(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)25-14-12-24(13-15-25)16-17-8-10-18(11-9-17)23-28-21(4,5)22(6,7)29-23/h8-11H,12-16H2,1-7H3
InChI Key:
AAEYFMAHSYKHGD-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)Cc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
558  
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