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Home > Boronic Acids > 1401697-46-8
1401697-46-8 | 1-Piperidinecarboxylic acid, 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]-, 1,1-dimethylethyl ester
CAS No: 1401697-46-8 Catalog No: AG01ETRO MDL No:
Product Description
Catalog Number:
AG01ETRO
Chemical Name:
1-Piperidinecarboxylic acid, 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]-, 1,1-dimethylethyl ester
CAS Number:
1401697-46-8
Molecular Formula:
C19H32BN3O4
Molecular Weight:
377.2861
IUPAC Name:
tert-butyl 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate
InChI:
InChI=1S/C19H32BN3O4/c1-17(2,3)25-16(24)22-11-8-14(9-12-22)23-13-10-15(21-23)20-26-18(4,5)19(6,7)27-20/h10,13-14H,8-9,11-12H2,1-7H3
InChI Key:
UGRIDPLVRGIZIC-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)n1ccc(n1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.249g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
377.292g/mol
Monoisotopic Mass:
377.249g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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