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102101-00-8 | 1,3,5-Triazine, 1,3,5-tris(3,5-dimethylphenyl)hexahydro-
CAS No: 102101-00-8 Catalog No: AG0006NB MDL No:
Product Description
Catalog Number:
AG0006NB
Chemical Name:
1,3,5-Triazine, 1,3,5-tris(3,5-dimethylphenyl)hexahydro-
CAS Number:
102101-00-8
Molecular Formula:
C27H33N3
Molecular Weight:
399.5710
IUPAC Name:
1,3,5-tris(3,5-dimethylphenyl)-1,3,5-triazinane
InChI:
InChI=1S/C27H33N3/c1-19-7-20(2)11-25(10-19)28-16-29(26-12-21(3)8-22(4)13-26)18-30(17-28)27-14-23(5)9-24(6)15-27/h7-15H,16-18H2,1-6H3
InChI Key:
MYHLJFZKPKTCOY-UHFFFAOYSA-N
SMILES:
Cc1cc(cc(c1)C)N1CN(CN(C1)c1cc(C)cc(c1)C)c1cc(C)cc(c1)C
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.267g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
399.582g/mol
Monoisotopic Mass:
399.267g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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