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Home Boronic acids 4-(2-(Piperidin-1-yl)ethylcarbamoyl)phenylboronic acid, HCl

4-(2-(Piperidin-1-yl)ethylcarbamoyl)phenylboronic acid, HCl

CAS No.:
957060-72-9
Catalog Number:
AG00IJDE
Molecular Formula:
C14H22BClN2O3
Molecular Weight:
312.6001
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$32
- +
5g
98%
In Stock USA
United States
$88
- +
25g
98%
In Stock USA
United States
$315
- +
Product Description
Catalog Number:
AG00IJDE
Chemical Name:
4-(2-(Piperidin-1-yl)ethylcarbamoyl)phenylboronic acid, HCl
CAS Number:
957060-72-9
Molecular Formula:
C14H22BClN2O3
Molecular Weight:
312.6001
MDL Number:
MFCD09027221
IUPAC Name:
[4-(2-piperidin-1-ylethylcarbamoyl)phenyl]boronic acid;hydrochloride
InChI:
InChI=1S/C14H21BN2O3.ClH/c18-14(12-4-6-13(7-5-12)15(19)20)16-8-11-17-9-2-1-3-10-17;/h4-7,19-20H,1-3,8-11H2,(H,16,18);1H
InChI Key:
WEPTXOJQSHKUJD-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C(=O)NCCN1CCCCC1)O.Cl
Properties
Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.141g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
312.601g/mol
Monoisotopic Mass:
312.141g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties