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Home > Boronic Acids > 1333388-05-8
1333388-05-8 | Boronic acid, B-[2-[(4-ethyl-1-piperazinyl)methyl]phenyl]-
CAS No: 1333388-05-8 Catalog No: AG01EB45 MDL No:
Product Description
Catalog Number:
AG01EB45
Chemical Name:
Boronic acid, B-[2-[(4-ethyl-1-piperazinyl)methyl]phenyl]-
CAS Number:
1333388-05-8
Molecular Formula:
C13H21BN2O2
Molecular Weight:
248.1290
IUPAC Name:
[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]boronic acid
InChI:
InChI=1S/C13H21BN2O2/c1-2-15-7-9-16(10-8-15)11-12-5-3-4-6-13(12)14(17)18/h3-6,17-18H,2,7-11H2,1H3
InChI Key:
WLVYWZAGOGWEBO-UHFFFAOYSA-N
SMILES:
CCN1CCN(CC1)Cc1ccccc1B(O)O
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.17g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.133g/mol
Monoisotopic Mass:
248.17g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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