Home Boronic acids 2-(N,N-BisBOC-Amino)pyrimidine-5-boronic acid, pinacol ester

2-(N,N-BisBOC-Amino)pyrimidine-5-boronic acid, pinacol ester

CAS No.:
1190423-36-9
Catalog Number:
AG000I3O
Molecular Formula:
C20H32BN3O6
Molecular Weight:
421.2956
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$82
- +
5g
96%
In Stock USA
United States
$263
- +
10g
96%
In Stock USA
United States
$438
- +
25g
96%
In Stock USA
United States
$994
- +
Product Description
Catalog Number:
AG000I3O
Chemical Name:
2-(N,N-BisBOC-Amino)pyrimidine-5-boronic acid, pinacol ester
CAS Number:
1190423-36-9
Molecular Formula:
C20H32BN3O6
Molecular Weight:
421.2956
MDL Number:
MFCD12913985
IUPAC Name:
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]carbamate
InChI:
InChI=1S/C20H32BN3O6/c1-17(2,3)27-15(25)24(16(26)28-18(4,5)6)14-22-11-13(12-23-14)21-29-19(7,8)20(9,10)30-21/h11-12H,1-10H3
InChI Key:
SJJXYKAZGIJVQP-UHFFFAOYSA-N
SMILES:
O=C(N(c1ncc(cn1)B1OC(C(O1)(C)C)(C)C)C(=O)OC(C)(C)C)OC(C)(C)C
Properties
Complexity:
604  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.238g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
421.301g/mol
Monoisotopic Mass:
421.238g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties