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Home > Boronic Acids > 1333222-17-5
1333222-17-5 | 1-Piperidinecarboxylic acid, 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1(2H)-pyridazinyl]-, 1,1-dimethylethyl ester
CAS No: 1333222-17-5 Catalog No: AG0014N9 MDL No:
Product Description
Catalog Number:
AG0014N9
Chemical Name:
1-Piperidinecarboxylic acid, 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1(2H)-pyridazinyl]-, 1,1-dimethylethyl ester
CAS Number:
1333222-17-5
Molecular Formula:
C20H34BN3O4
Molecular Weight:
391.3127
IUPAC Name:
tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyridazin-2-yl]piperidine-1-carboxylate
InChI:
InChI=1S/C20H34BN3O4/c1-18(2,3)26-17(25)23-12-9-16(10-13-23)24-14-15(8-11-22-24)21-27-19(4,5)20(6,7)28-21/h8,11,14,16,22H,9-10,12-13H2,1-7H3
InChI Key:
CWOXUSRHWCCTIA-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)n1[nH]ccc(c1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
645
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.264g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
391.319g/mol
Monoisotopic Mass:
391.264g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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