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1218791-44-6 | 2-Pyrimidinamine, N-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1218791-44-6 Catalog No: AG0016BE MDL No:MFCD12546554
Product Description
Catalog Number:
AG0016BE
Chemical Name:
2-Pyrimidinamine, N-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1218791-44-6
Molecular Formula:
C12H20BN3O2
Molecular Weight:
249.1171
MDL Number:
MFCD12546554
IUPAC Name:
N-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
InChI:
InChI=1S/C12H20BN3O2/c1-6-14-10-15-7-9(8-16-10)13-17-11(2,3)12(4,5)18-13/h7-8H,6H2,1-5H3,(H,14,15,16)
InChI Key:
QZSWEVVTXWRLLI-UHFFFAOYSA-N
SMILES:
CCNc1ncc(cn1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.165g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.121g/mol
Monoisotopic Mass:
249.165g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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