Home Boronic acids 2-(Ethoxycarbonylmethylamino)pyrimidine-5-boronic acid, pinacol ester

2-(Ethoxycarbonylmethylamino)pyrimidine-5-boronic acid, pinacol ester

CAS No.:
1202805-23-9
Catalog Number:
AG003Q14
Molecular Formula:
C14H22BN3O4
Molecular Weight:
307.1532
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$150
- +
1g
96%
In Stock USA
United States
$300
- +
5g
96%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG003Q14
Chemical Name:
2-(Ethoxycarbonylmethylamino)pyrimidine-5-boronic acid, pinacol ester
CAS Number:
1202805-23-9
Molecular Formula:
C14H22BN3O4
Molecular Weight:
307.1532
MDL Number:
MFCD12546563
IUPAC Name:
ethyl 2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]amino]acetate
InChI:
InChI=1S/C14H22BN3O4/c1-6-20-11(19)9-18-12-16-7-10(8-17-12)15-21-13(2,3)14(4,5)22-15/h7-8H,6,9H2,1-5H3,(H,16,17,18)
InChI Key:
HSOCAWHXCILLMG-UHFFFAOYSA-N
SMILES:
CCOC(=O)CNc1ncc(cn1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
382  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.17g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
307.157g/mol
Monoisotopic Mass:
307.17g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties