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Home Boronic acids 2-((4-Methylpiperazin-1-yl)Methyl)phenylboronic acid

2-((4-Methylpiperazin-1-yl)Methyl)phenylboronic acid

CAS No.:
1312921-22-4
Catalog Number:
AG009YHB
Molecular Formula:
C12H19BN2O2
Molecular Weight:
234.1025
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Product Description
Catalog Number:
AG009YHB
Chemical Name:
2-((4-Methylpiperazin-1-yl)Methyl)phenylboronic acid
CAS Number:
1312921-22-4
Molecular Formula:
C12H19BN2O2
Molecular Weight:
234.1025
MDL Number:
MFCD16198079
IUPAC Name:
[2-[(4-methylpiperazin-1-yl)methyl]phenyl]boronic acid
InChI:
InChI=1S/C12H19BN2O2/c1-14-6-8-15(9-7-14)10-11-4-2-3-5-12(11)13(16)17/h2-5,16-17H,6-10H2,1H3
InChI Key:
MJWYXYIAYRKIRW-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)Cc1ccccc1B(O)O
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.154g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
234.106g/mol
Monoisotopic Mass:
234.154g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties