Cas no 52962-40-0 (1-Propanesulfonic acid, 3-[(2-hydroxyphenyl)amino]-)
![1-Propanesulfonic acid, 3-[(2-hydroxyphenyl)amino]- structure](https://ossimg.kuujia.com/scimg/53000/52962-40-0x500.png)
52962-40-0 structure
Product Name:1-Propanesulfonic acid, 3-[(2-hydroxyphenyl)amino]-
CAS No:52962-40-0
MF:C9H13NO4S
MW:231.26882147789
CID:358362
PubChem ID:17818858
Update Time:2025-04-19
1-Propanesulfonic acid, 3-[(2-hydroxyphenyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanesulfonic acid, 3-[(2-hydroxyphenyl)amino]-
- 3-(2-hydroxyanilino)propane-1-sulfonic acid
- DTXSID60591101
- 52962-40-0
- SCHEMBL917776
- sulfopropylamino-phenol
-
- Inchi： 1S/C9H13NO4S/c11-9-5-2-1-4-8(9)10-6-3-7-15(12,13)14/h1-2,4-5,10-11H,3,6-7H2,(H,12,13,14)
- InChI Key： UZYYVRFMEIGFTQ-UHFFFAOYSA-N
- SMILES： S(CCCNC1C=CC=CC=1O)(=O)(=O)O
Computed Properties
- Exact Mass: 231.05659
- Monoisotopic Mass: 231.05652907g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 272
- 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: 0.8
- Topological Polar Surface Area: 95?2
Experimental Properties
- PSA: 86.63
1-Propanesulfonic acid, 3-[(2-hydroxyphenyl)amino]- Related Literature
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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