5-piperazin-1-ylsulfonylisoquinoline;dihydrochloride


Chemical Name: 5-piperazin-1-ylsulfonylisoquinoline;dihydrochloride
CAS Number: 84468-24-6
Product Number: AG004W1X(AGN-PC-00L2ST)
Synonyms:
MDL No: MFCD01310980
Molecular Formula: C13H15N3O2S
Molecular Weight: 277.3421

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
277.342g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
277.088g/mol
Monoisotopic Mass:
277.088g/mol
Topological Polar Surface Area:
70.7A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
401
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#:
N/A
Hazard Statements:
H315-H319
Precautionary Statements:
P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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