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Home > Boronic Acids > 1400668-06-5
1400668-06-5 | tert-butyl N-[(tert-butoxy)carbonyl]-N-[6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-yl]carbamate
CAS No: 1400668-06-5 Catalog No: AG01EL2S MDL No:MFCD30829323
Product Description
Catalog Number:
AG01EL2S
Chemical Name:
tert-butyl N-[(tert-butoxy)carbonyl]-N-[6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-yl]carbamate
CAS Number:
1400668-06-5
Molecular Formula:
C20H32BN3O6
Molecular Weight:
421.2956
MDL Number:
MFCD30829323
IUPAC Name:
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-yl]carbamate
InChI:
InChI=1S/C20H32BN3O6/c1-17(2,3)27-15(25)24(16(26)28-18(4,5)6)14-12-22-11-13(23-14)21-29-19(7,8)20(9,10)30-21/h11-12H,1-10H3
InChI Key:
MPDGREDXDDKJJG-UHFFFAOYSA-N
SMILES:
O=C(N(c1cncc(n1)B1OC(C(O1)(C)C)(C)C)C(=O)OC(C)(C)C)OC(C)(C)C
Properties
Complexity:
612
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.238g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
421.301g/mol
Monoisotopic Mass:
421.238g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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