Home Boronic acids (3-((4-Methylpiperidin-1-yl)Methyl)phenyl)boronic acid

(3-((4-Methylpiperidin-1-yl)Methyl)phenyl)boronic acid

CAS No.:
1332746-94-7
Catalog Number:
AG009YFU
Molecular Formula:
C13H20BNO2
Molecular Weight:
233.1144
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Product Description
Catalog Number:
AG009YFU
Chemical Name:
(3-((4-Methylpiperidin-1-yl)Methyl)phenyl)boronic acid
CAS Number:
1332746-94-7
Molecular Formula:
C13H20BNO2
Molecular Weight:
233.1144
MDL Number:
MFCD16198055
IUPAC Name:
[3-[(4-methylpiperidin-1-yl)methyl]phenyl]boronic acid
InChI:
InChI=1S/C13H20BNO2/c1-11-5-7-15(8-6-11)10-12-3-2-4-13(9-12)14(16)17/h2-4,9,11,16-17H,5-8,10H2,1H3
InChI Key:
ZRHAQCWKPCJKML-UHFFFAOYSA-N
SMILES:
CC1CCN(CC1)Cc1cccc(c1)B(O)O
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.159g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
233.118g/mol
Monoisotopic Mass:
233.159g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties