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1218791-43-5 | 2-Pyrimidinamine, N-(1,1-dimethylethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1218791-43-5 Catalog No: AG0016BF MDL No:MFCD12546547
Product Description
Catalog Number:
AG0016BF
Chemical Name:
2-Pyrimidinamine, N-(1,1-dimethylethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1218791-43-5
Molecular Formula:
C14H24BN3O2
Molecular Weight:
277.1703
MDL Number:
MFCD12546547
IUPAC Name:
N-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
InChI:
InChI=1S/C14H24BN3O2/c1-12(2,3)18-11-16-8-10(9-17-11)15-19-13(4,5)14(6,7)20-15/h8-9H,1-7H3,(H,16,17,18)
InChI Key:
QSQNGIXCPKOTOQ-UHFFFAOYSA-N
SMILES:
CC(Nc1ncc(cn1)B1OC(C(O1)(C)C)(C)C)(C)C
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.196g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.175g/mol
Monoisotopic Mass:
277.196g/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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