Cas no 105012-80-4 (Isoquinoline;sulfuric Acid)
Isoquinoline;sulfuric Acid structure
Product Name:Isoquinoline;sulfuric Acid
CAS No:105012-80-4
MF:C9H9NO4S
MW:227.237061262131
CID:1149509
PubChem ID:12208316
Update Time:2025-04-20
Isoquinoline;sulfuric Acid Chemical and Physical Properties
Names and Identifiers
-
- isoquinoline,sulfuric acid
- isoquinoline
- sulfuric acid
- 105012-80-4
- Isoquinoline, sulfate
- isoquinoline;sulfuric acid
- DTXSID90480498
- SCHEMBL231713
- Isoquinoline;sulfuric Acid
-
- Inchi： 1S/C9H7N.H2O4S/c1-2-4-9-7-10-6-5-8(9)3-1;1-5(2,3)4/h1-7H;(H2,1,2,3,4)
- InChI Key： PNVXLEZHGVTRFM-UHFFFAOYSA-N
- SMILES： S(=O)(=O)(O)O.N1C=CC2C=CC=CC=2C=1
Computed Properties
- Exact Mass: 227.02527
- Monoisotopic Mass: 227.02522894g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 193
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 95.9?2
Experimental Properties
- PSA: 87.49
- LogP: 2.66280
Isoquinoline;sulfuric Acid Related Literature
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
105012-80-4 (Isoquinoline;sulfuric Acid) Related Products
- 54957-90-3(Quinoline sulfate)
- 530-66-5(quinolinium hydrogen sulphate)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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