5-(1,4-diazepan-1-ylsulfonyl)isoquinoline;dihydrochloride


Chemical Name: 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline;dihydrochloride
CAS Number: 203911-27-7
Product Number: AG002973(AGN-PC-00URQ1)
Synonyms:
MDL No: MFCD00153805
Molecular Formula: C14H19Cl2N3O2S
Molecular Weight: 364.2906

Identification/Properties


Computed Properties
Molecular Weight:
364.285g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
363.058g/mol
Monoisotopic Mass:
363.058g/mol
Topological Polar Surface Area:
70.7A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
421
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:
3
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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