Home Boronic acids 4-(1-Pyrrolidinoethyl)phenylboronic acid

4-(1-Pyrrolidinoethyl)phenylboronic acid

CAS No.:
868395-81-7
Catalog Number:
AG00IE86
Molecular Formula:
C12H18BNO2
Molecular Weight:
219.0878
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$226
- +
5g
95%
In Stock USA
United States
$671
- +
Product Description
Catalog Number:
AG00IE86
Chemical Name:
4-(1-Pyrrolidinoethyl)phenylboronic acid
CAS Number:
868395-81-7
Molecular Formula:
C12H18BNO2
Molecular Weight:
219.0878
MDL Number:
MFCD08059976
IUPAC Name:
[4-(1-pyrrolidin-1-ylethyl)phenyl]boronic acid
InChI:
InChI=1S/C12H18BNO2/c1-10(14-8-2-3-9-14)11-4-6-12(7-5-11)13(15)16/h4-7,10,15-16H,2-3,8-9H2,1H3
InChI Key:
NQLHGKJEUGXKQH-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C(N1CCCC1)C)O
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.143g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
219.091g/mol
Monoisotopic Mass:
219.143g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties