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Home > Boronic Acids > 874299-01-1
874299-01-1 | N-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperidine-1-carboxamide
CAS No: 874299-01-1 Catalog No: AG004FYL MDL No:MFCD20231465
Product Description
Catalog Number:
AG004FYL
Chemical Name:
N-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperidine-1-carboxamide
CAS Number:
874299-01-1
Molecular Formula:
C18H27BN2O3
Molecular Weight:
330.2296
MDL Number:
MFCD20231465
IUPAC Name:
N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine-1-carboxamide
InChI:
InChI=1S/C18H27BN2O3/c1-17(2)18(3,4)24-19(23-17)14-9-8-10-15(13-14)20-16(22)21-11-6-5-7-12-21/h8-10,13H,5-7,11-12H2,1-4H3,(H,20,22)
InChI Key:
LDEPAKFSPUQKCJ-UHFFFAOYSA-N
SMILES:
O=C(N1CCCCC1)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.211g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.235g/mol
Monoisotopic Mass:
330.211g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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