Cas no 52962-51-3 (1-Propanesulfonic acid, 3-[(4-methoxyphenyl)amino]-)
![1-Propanesulfonic acid, 3-[(4-methoxyphenyl)amino]- structure](https://ossimg.kuujia.com/scimg/53000/52962-51-3x500.png)
52962-51-3 structure
Product Name:1-Propanesulfonic acid, 3-[(4-methoxyphenyl)amino]-
CAS No:52962-51-3
MF:C10H15NO4S
MW:245.2954018116
CID:358360
PubChem ID:14668515
Update Time:2025-04-19
1-Propanesulfonic acid, 3-[(4-methoxyphenyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanesulfonic acid, 3-[(4-methoxyphenyl)amino]-
- 3-(4-methoxyanilino)propane-1-sulfonic acid
- 52962-51-3
- SCHEMBL917492
- DTXSID20562812
-
- Inchi： 1S/C10H15NO4S/c1-15-10-5-3-9(4-6-10)11-7-2-8-16(12,13)14/h3-6,11H,2,7-8H2,1H3,(H,12,13,14)
- InChI Key： WSIJCHDEVXEUOV-UHFFFAOYSA-N
- SMILES： S(CCCNC1C=CC(=CC=1)OC)(=O)(=O)O
Computed Properties
- Exact Mass: 245.07225
- Monoisotopic Mass: 245.07217913g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 278
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.1
- Topological Polar Surface Area: 84?2
Experimental Properties
- PSA: 75.63
1-Propanesulfonic acid, 3-[(4-methoxyphenyl)amino]- Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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