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Home > Boronic Acids > 883727-38-6
883727-38-6 | N,N-DIBUTYL-3-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL) ANILINE
CAS No: 883727-38-6 Catalog No: AG008DDS MDL No:
Product Description
Catalog Number:
AG008DDS
Chemical Name:
N,N-DIBUTYL-3-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL) ANILINE
CAS Number:
883727-38-6
Molecular Formula:
C21H36BNO2
Molecular Weight:
345.3270
IUPAC Name:
N,N-dibutyl-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
InChI:
InChI=1S/C21H36BNO2/c1-8-10-12-23(13-11-9-2)19-15-17(3)14-18(16-19)22-24-20(4,5)21(6,7)25-22/h14-16H,8-13H2,1-7H3
InChI Key:
UYZDJCPHJBCYRZ-UHFFFAOYSA-N
SMILES:
CCCCN(c1cc(cc(c1)C)B1OC(C(O1)(C)C)(C)C)CCCC
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.284g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.334g/mol
Monoisotopic Mass:
345.284g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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