Home Boronic acids 4-(N,N-Diethylaminomethyl)phenylboronic acid, pinacol ester, HCl

4-(N,N-Diethylaminomethyl)phenylboronic acid, pinacol ester, HCl

CAS No.:
2096340-36-0
Catalog Number:
AG01EHEZ
Molecular Formula:
C17H29BClNO2
Molecular Weight:
325.6817
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG01EHEZ
Chemical Name:
4-(N,N-Diethylaminomethyl)phenylboronic acid, pinacol ester, HCl
CAS Number:
2096340-36-0
Molecular Formula:
C17H29BClNO2
Molecular Weight:
325.6817
MDL Number:
MFCD19237204
IUPAC Name:
N-ethyl-N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]ethanamine;hydrochloride
InChI:
InChI=1S/C17H28BNO2.ClH/c1-7-19(8-2)13-14-9-11-15(12-10-14)18-20-16(3,4)17(5,6)21-18;/h9-12H,7-8,13H2,1-6H3;1H
InChI Key:
XWPFYZSWFZZGIT-UHFFFAOYSA-N
SMILES:
CCN(Cc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)CC.Cl
Properties
Complexity:
318  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.198g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
325.684g/mol
Monoisotopic Mass:
325.198g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties