Cas no 71965-02-1 (Anilinium toluenesulphonate)
Anilinium toluenesulphonate structure
Product Name:Anilinium toluenesulphonate
CAS No:71965-02-1
MF:C13H15NO3S
MW:265.328102350235
CID:565751
PubChem ID:44152853
Update Time:2025-04-19
Anilinium toluenesulphonate Chemical and Physical Properties
Names and Identifiers
-
- Anilinium toluenesulphonate
- 2-methylbenzenesulfonate,phenylazanium
- 2-methylbenzenesulfonate
- phenylammonium
- EINECS 276-221-3
- 71965-02-1
- NS00091538
-
- Inchi： 1S/C7H8O3S.C6H7N/c1-6-4-2-3-5-7(6)11(8,9)10;7-6-4-2-1-3-5-6/h2-5H,1H3,(H,8,9,10);1-5H,7H2
- InChI Key： CUMPYBMVGICTRY-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1C)(=O)(=O)[O-].[NH3+]C1C=CC=CC=1
Computed Properties
- Exact Mass: 265.07735
- Monoisotopic Mass: 265.07726451g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 247
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 93.2?2
Experimental Properties
- PSA: 84.84
Anilinium toluenesulphonate Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
71965-02-1 (Anilinium toluenesulphonate) Related Products
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- 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)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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