Home Other Building Blocks 1-(4-{[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}piperazin-1-yl)ethan-1-one

1-(4-{[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}piperazin-1-yl)ethan-1-one

CAS No.:
1416367-07-1
Catalog Number:
AG01BXTN
Molecular Formula:
C19H29BN2O3
Molecular Weight:
344.2562
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Product Description
Catalog Number:
AG01BXTN
Chemical Name:
1-(4-{[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}piperazin-1-yl)ethan-1-one
CAS Number:
1416367-07-1
Molecular Formula:
C19H29BN2O3
Molecular Weight:
344.2562
MDL Number:
MFCD18777234
IUPAC Name:
1-[4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazin-1-yl]ethanone
InChI:
InChI=1S/C19H29BN2O3/c1-15(23)22-11-9-21(10-12-22)14-16-7-6-8-17(13-16)20-24-18(2,3)19(4,5)25-20/h6-8,13H,9-12,14H2,1-5H3
InChI Key:
ISLUJPUZMMIHPV-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCN(CC1)Cc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
473  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.227g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.262g/mol
Monoisotopic Mass:
344.227g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties