3-(1-Pyrrolidinoethyl)phenylboronic acid
Product Information
Molecular Formula
C12H18BNO2
Molecular Weight
219.1
Description
3-(1-Pyrrolidinoethyl)phenylboronic acid is a compound of great significance in the biomedical sector and presents itself as a versatile pharmaceutical intermediate for the synthesis of diverse therapeutic agents. Additionally, its application stretches to encompass investigational inquiries dedicated to the amelioration of specific maladies.
Synonyms
[3-(1-pyrrolidin-1-ylethyl)phenyl]boronicacid; 3-(1-Pyrrolidinoethyl)phenylboronicacid; 1256355-44-8; ACMC-209ayy; Ambcb4015550; SCHEMBL15332985
IUPAC Name
[3-(1-pyrrolidin-1-ylethyl)phenyl]boronic acid
SMILES
B(C1=CC(=CC=C1)C(C)N2CCCC2)(O)O
InChI
InChI=1S/C12H18BNO2/c1-10(14-7-2-3-8-14)11-5-4-6-12(9-11)13(15)16/h4-6,9-10,15-16H,2-3,7-8H2,1H3
InChI Key
OSQBDXBDCHOEAV-UHFFFAOYSA-N
Flash Point
Not applicable
Purity
95%
Safety Information
Hazards
H319
Precautionary Statement
P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
219.1430590 g/mol
Monoisotopic Mass
219.1430590 g/mol
Topological Polar Surface Area
43.7Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
219
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
