Home Boronic acids 4-[(3-(1H-Imidazol-1-yl)propyl)aminomethyl]phenylboronic acid pinacol ester

4-[(3-(1H-Imidazol-1-yl)propyl)aminomethyl]phenylboronic acid pinacol ester

CAS No.:
1257648-78-4
Catalog Number:
AG009IIZ
Molecular Formula:
C19H28BN3O2
Molecular Weight:
341.2555
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
In Stock USA
United States
$60
- +
1g
95%
In Stock USA
United States
$100
- +
5g
95%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG009IIZ
Chemical Name:
4-[(3-(1H-Imidazol-1-yl)propyl)aminomethyl]phenylboronic acid pinacol ester
CAS Number:
1257648-78-4
Molecular Formula:
C19H28BN3O2
Molecular Weight:
341.2555
MDL Number:
MFCD12546046
IUPAC Name:
3-imidazol-1-yl-N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]propan-1-amine
InChI:
InChI=1S/C19H28BN3O2/c1-18(2)19(3,4)25-20(24-18)17-8-6-16(7-9-17)14-21-10-5-12-23-13-11-22-15-23/h6-9,11,13,15,21H,5,10,12,14H2,1-4H3
InChI Key:
OJNUJXDRCCIJCB-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc(cc1)CNCCCn1cncc1
Properties
Complexity:
409  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.227g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
341.262g/mol
Monoisotopic Mass:
341.227g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties