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Home > Boronic Acids > 440652-32-4
440652-32-4 | 1-METHYL-4-[[2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]METHYL]-PIPERAZINE
CAS No: 440652-32-4 Catalog No: AG00E5XC MDL No:MFCD09752051
Product Description
Catalog Number:
AG00E5XC
Chemical Name:
1-METHYL-4-[[2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]METHYL]-PIPERAZINE
CAS Number:
440652-32-4
Molecular Formula:
C18H29BN2O2
Molecular Weight:
316.2461
MDL Number:
MFCD09752051
IUPAC Name:
1-methyl-4-[[2-(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)16-9-7-6-8-15(16)14-21-12-10-20(5)11-13-21/h6-9H,10-14H2,1-5H3
InChI Key:
YYWYWLGKBKLRHM-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)Cc1ccccc1B1OC(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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