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1177141-67-1

1177141-67-1 | N-(2-Aminoethyl)-5-chloroisoquinoline-8-sulfonamide dihydrochloride

CAS No: 1177141-67-1 Catalog No: AG003S8N MDL No:MFCD00897689

Product Description

Catalog Number:
AG003S8N
Chemical Name:
N-(2-Aminoethyl)-5-chloroisoquinoline-8-sulfonamide dihydrochloride
CAS Number:
1177141-67-1
Molecular Formula:
C11H14Cl3N3O2S
Molecular Weight:
358.6718
MDL Number:
MFCD00897689
IUPAC Name:
N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide;dihydrochloride
InChI:
InChI=1S/C11H12ClN3O2S.2ClH/c12-10-1-2-11(18(16,17)15-6-4-13)9-7-14-5-3-8(9)10;;/h1-3,5,7,15H,4,6,13H2;2*1H
InChI Key:
JUAVTXYOCISSSL-UHFFFAOYSA-N
SMILES:
NCCNS(=O)(=O)c1ccc(c2c1cncc2)Cl.Cl.Cl

Properties

Complexity:
371  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.987g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
358.662g/mol
Monoisotopic Mass:
356.987g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
93.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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