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Home > Boronic Acids > 1224449-34-6
1224449-34-6 | TERT-BUTYL 4-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZYL)PIPERIDINE-1-CARBOXYLATE
CAS No: 1224449-34-6 Catalog No: AG00HGQ6 MDL No:
Product Description
Catalog Number:
AG00HGQ6
Chemical Name:
TERT-BUTYL 4-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZYL)PIPERIDINE-1-CARBOXYLATE
CAS Number:
1224449-34-6
Molecular Formula:
C23H36BNO4
Molecular Weight:
401.3472
IUPAC Name:
tert-butyl 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidine-1-carboxylate
InChI:
InChI=1S/C23H36BNO4/c1-21(2,3)27-20(26)25-14-12-18(13-15-25)16-17-8-10-19(11-9-17)24-28-22(4,5)23(6,7)29-24/h8-11,18H,12-16H2,1-7H3
InChI Key:
DUHDQZBKAPSBMS-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)Cc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
554
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.274g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
401.354g/mol
Monoisotopic Mass:
401.274g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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