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Home > Boronic Acids > 883738-27-0

883738-27-0

883738-27-0 | 1-Methyl-4-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperazine

CAS No: 883738-27-0 Catalog No: AG003EHX MDL No:MFCD09266181

Product Description

Catalog Number:
AG003EHX
Chemical Name:
1-Methyl-4-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperazine
CAS Number:
883738-27-0
Molecular Formula:
C18H29BN2O2
Molecular Weight:
316.2461
MDL Number:
MFCD09266181
IUPAC Name:
1-methyl-4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine
InChI:
InChI=1S/C18H29BN2O2/c1-17(2)18(3,4)23-19(22-17)16-8-6-7-15(13-16)14-21-11-9-20(5)10-12-21/h6-8,13H,9-12,14H2,1-5H3
InChI Key:
PESZAXRJFGLGTR-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)Cc1cccc(c1)B1OC(C(O1)(C)C)(C)C

Properties

Complexity:
392  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.232g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.252g/mol
Monoisotopic Mass:
316.232g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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