sales@angenesci.com
Login | Register
logo
Structures Search
Home Boronic acids 4-(2-(Pyrrolidin-1-yl)ethylcarbamoyl)phenylboronic acid, HCl

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

CAS No.:
957060-70-7
Catalog Number:
AG00IJDD
Molecular Formula:
C13H20BClN2O3
Molecular Weight:
298.5735
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$100
- +
5g
98%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG00IJDD
Chemical Name:
4-(2-(Pyrrolidin-1-yl)ethylcarbamoyl)phenylboronic acid, HCl
CAS Number:
957060-70-7
Molecular Formula:
C13H20BClN2O3
Molecular Weight:
298.5735
MDL Number:
MFCD09027222
IUPAC Name:
[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]boronic acid;hydrochloride
InChI:
InChI=1S/C13H19BN2O3.ClH/c17-13(15-7-10-16-8-1-2-9-16)11-3-5-12(6-4-11)14(18)19;/h3-6,18-19H,1-2,7-10H2,(H,15,17);1H
InChI Key:
WQGZMXJVRQNVRB-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C(=O)NCCN1CCCC1)O.Cl
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.126g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
298.574g/mol
Monoisotopic Mass:
298.126g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties