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1248-39-1 | 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trihexyl-
CAS No: 1248-39-1 Catalog No: AG000MR8 MDL No:
Product Description
Catalog Number:
AG000MR8
Chemical Name:
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trihexyl-
CAS Number:
1248-39-1
Molecular Formula:
C21H39N3O3
Molecular Weight:
381.5527
IUPAC Name:
1,3,5-trihexyl-1,3,5-triazinane-2,4,6-trione
InChI:
InChI=1S/C21H39N3O3/c1-4-7-10-13-16-22-19(25)23(17-14-11-8-5-2)21(27)24(20(22)26)18-15-12-9-6-3/h4-18H2,1-3H3
InChI Key:
XNPPAAQDZUVJLR-UHFFFAOYSA-N
SMILES:
CCCCCCn1c(=O)n(CCCCCC)c(=O)n(c1=O)CCCCCC
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.299g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.561g/mol
Monoisotopic Mass:
381.299g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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