Home Boronic acids 4-(3-Ethoxycarbonylpiperidine)carboxamidophenylboronic acid, pinacol ester

4-(3-Ethoxycarbonylpiperidine)carboxamidophenylboronic acid, pinacol ester

CAS No.:
850411-14-2
Catalog Number:
AG00G36H
Molecular Formula:
C21H30BNO5
Molecular Weight:
387.2776
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$44
- +
1g
95%
In Stock USA
United States
$45
- +
5g
95%
In Stock USA
United States
$133
- +
25g
98%
In Stock USA
United States
$608
- +
Product Description
Catalog Number:
AG00G36H
Chemical Name:
4-(3-Ethoxycarbonylpiperidine)carboxamidophenylboronic acid, pinacol ester
CAS Number:
850411-14-2
Molecular Formula:
C21H30BNO5
Molecular Weight:
387.2776
MDL Number:
MFCD06657751
IUPAC Name:
ethyl 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperidine-3-carboxylate
InChI:
InChI=1S/C21H30BNO5/c1-6-26-19(25)16-8-7-13-23(14-16)18(24)15-9-11-17(12-10-15)22-27-20(2,3)21(4,5)28-22/h9-12,16H,6-8,13-14H2,1-5H3
InChI Key:
YQADGHATUTVIEA-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCCN(C1)C(=O)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
569  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.222g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
387.283g/mol
Monoisotopic Mass:
387.222g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties