Formula |
C11H12ClN3O2S |
IUPAC Name |
n-(2-aminoethyl)-5-chloro-4h-isoquinolin-2-ium-4-ide-8-sulfonamide |
Molecular Mass |
285.750 g·mol−1 |
Heat of Formation |
-142.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.64 ± 1.08 D |
Volume |
304.16 Å 3 |
Surface Area |
267.84 Å 2 |
HOMO Energy |
-9.68 ± 0.55 eV |
LUMO Energy |
-1.65 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 5-chloro-isoquinoline-8-sulfonic acid, (2-amino-ethyl)-amide
- 8-isoquinolinesulfonamide, n-(2-aminoethyl)-5-chloro-
- cki
- cki 7
- n-(2-aminoethyl)-5-chloro-isoquinoline-8-sulfonamide
- n-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide
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CAS Number(s) |
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InChIKey |
OGKYMFFYOWUTKV-UHFFFAOYSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
C
Cl
H
O
N
S
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