1H-1,4-Diazepine, hexahydro-1-[(5-iodo-1-naphthalenyl)sulfonyl]-,monohydrochloride


Chemical Name: 1H-1,4-Diazepine, hexahydro-1-[(5-iodo-1-naphthalenyl)sulfonyl]-,monohydrochloride
CAS Number: 110448-33-4
Product Number: AG003CS6(AGN-PC-0P0NVY)
Synonyms:
MDL No:
Molecular Formula: C15H18ClIN2O2S
Molecular Weight: 452.7381

Identification/Properties


Properties
MP:
>220°C (dec.)
Storage:
Light sensitive;Keep in dry area;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
452.735g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
451.982g/mol
Monoisotopic Mass:
451.982g/mol
Topological Polar Surface Area:
57.8A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
451
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:
2
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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