Home Boronic acids 2-(N-Butylaminomethyl)-3-chlorophenylboronic acid, pinacol ester

2-(N-Butylaminomethyl)-3-chlorophenylboronic acid, pinacol ester

CAS No.:
2096334-51-7
Catalog Number:
AG01EHBL
Molecular Formula:
C17H27BClNO2
Molecular Weight:
323.6658
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:
AG01EHBL
Chemical Name:
2-(N-Butylaminomethyl)-3-chlorophenylboronic acid, pinacol ester
CAS Number:
2096334-51-7
Molecular Formula:
C17H27BClNO2
Molecular Weight:
323.6658
MDL Number:
MFCD20441920
IUPAC Name:
N-[[2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]butan-1-amine
InChI:
InChI=1S/C17H27BClNO2/c1-6-7-11-20-12-13-14(9-8-10-15(13)19)18-21-16(2,3)17(4,5)22-18/h8-10,20H,6-7,11-12H2,1-5H3
InChI Key:
JYAHFATXUFOJBL-UHFFFAOYSA-N
SMILES:
CCCCNCc1c(Cl)cccc1B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
349  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.182g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
323.668g/mol
Monoisotopic Mass:
323.182g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties