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Home > Boronic Acids > 1417193-47-5
1417193-47-5 | Pyrimidine, 2-(4-ethyl-1-piperazinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1417193-47-5 Catalog No: AG01DUCS MDL No:
Product Description
Catalog Number:
AG01DUCS
Chemical Name:
Pyrimidine, 2-(4-ethyl-1-piperazinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1417193-47-5
Molecular Formula:
C16H27BN4O2
Molecular Weight:
318.2222
IUPAC Name:
2-(4-ethylpiperazin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
InChI:
InChI=1S/C16H27BN4O2/c1-6-20-7-9-21(10-8-20)14-18-11-13(12-19-14)17-22-15(2,3)16(4,5)23-17/h11-12H,6-10H2,1-5H3
InChI Key:
ZPAKYZRNRKHTBB-UHFFFAOYSA-N
SMILES:
CCN1CCN(CC1)c1ncc(cn1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.223g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.228g/mol
Monoisotopic Mass:
318.223g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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