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89306-99-0 | Benzenemethanamine, 2,2',2''-(2,4,6-boroxintriyl)tris[N,N-dimethyl-
CAS No: 89306-99-0 Catalog No: AG003ZY5 MDL No:
Product Description
Catalog Number:
AG003ZY5
Chemical Name:
Benzenemethanamine, 2,2',2''-(2,4,6-boroxintriyl)tris[N,N-dimethyl-
CAS Number:
89306-99-0
Molecular Formula:
C27H36B3N3O3
Molecular Weight:
483.0260
IUPAC Name:
1-[2-[4,6-bis[2-[(dimethylamino)methyl]phenyl]-1,3,5,2,4,6-trioxatriborinan-2-yl]phenyl]-N,N-dimethylmethanamine
InChI:
InChI=1S/C27H36B3N3O3/c1-31(2)19-22-13-7-10-16-25(22)28-34-29(26-17-11-8-14-23(26)20-32(3)4)36-30(35-28)27-18-12-9-15-24(27)21-33(5)6/h7-18H,19-21H2,1-6H3
InChI Key:
WNQCKRNLPOJQBX-UHFFFAOYSA-N
SMILES:
CN(Cc1ccccc1B1OB(OB(O1)c1ccccc1CN(C)C)c1ccccc1CN(C)C)C
Properties
Complexity:
561
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
483.304g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
483.033g/mol
Monoisotopic Mass:
483.304g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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