1H-1,4,7-Triazonine, octahydro-1,4,7-tris[(4-methylphenyl)sulfonyl]-


Chemical Name: 1H-1,4,7-Triazonine, octahydro-1,4,7-tris[(4-methylphenyl)sulfonyl]-
CAS Number: 52667-89-7
Product Number: AG00DB2K(AGN-PC-0JSYN5)
Synonyms:
MDL No:
Molecular Formula: C27H33N3O6S3
Molecular Weight: 591.7624

Identification/Properties


Properties
BP:
749.4°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
591.756g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
6
Exact Mass:
591.153g/mol
Monoisotopic Mass:
591.153g/mol
Topological Polar Surface Area:
137A^2
Heavy Atom Count:
39
Formal Charge:
0
Complexity:
948
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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