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2547-66-2 | 1,3,5-Tribenzyl-1,3,5-triazinane
CAS No: 2547-66-2 Catalog No: AG0032L2 MDL No:MFCD00014599
Product Description
Catalog Number:
AG0032L2
Chemical Name:
1,3,5-Tribenzyl-1,3,5-triazinane
CAS Number:
2547-66-2
Molecular Formula:
C24H27N3
Molecular Weight:
357.4913
MDL Number:
MFCD00014599
IUPAC Name:
1,3,5-tribenzyl-1,3,5-triazinane
InChI:
InChI=1S/C24H27N3/c1-4-10-22(11-5-1)16-25-19-26(17-23-12-6-2-7-13-23)21-27(20-25)18-24-14-8-3-9-15-24/h1-15H,16-21H2
InChI Key:
VWVZIRPJPFJGFE-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN1CN(CN(C1)Cc1ccccc1)Cc1ccccc1
EC Number:
219-831-7
NSC Number:
169717
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.22g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.501g/mol
Monoisotopic Mass:
357.22g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
9.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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