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1486485-50-0 | 4-methyl-1-{2-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl}piperidine
CAS No: 1486485-50-0 Catalog No: AG019YZY MDL No:MFCD22369821
Product Description
Catalog Number:
AG019YZY
Chemical Name:
4-methyl-1-{2-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl}piperidine
CAS Number:
1486485-50-0
Molecular Formula:
C20H32BNO3
Molecular Weight:
345.2840
MDL Number:
MFCD22369821
IUPAC Name:
4-methyl-1-[2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]piperidine
InChI:
InChI=1S/C20H32BNO3/c1-16-9-11-22(12-10-16)13-14-23-18-8-6-7-17(15-18)21-24-19(2,3)20(4,5)25-21/h6-8,15-16H,9-14H2,1-5H3
InChI Key:
HOYXWNQGZKBUHW-UHFFFAOYSA-N
SMILES:
CC1CCN(CC1)CCOc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.248g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.29g/mol
Monoisotopic Mass:
345.248g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
30.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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