Cas no 52962-41-1 (1-Propanesulfonic acid, 3-[(3-hydroxyphenyl)amino]-)
![1-Propanesulfonic acid, 3-[(3-hydroxyphenyl)amino]- structure](https://ossimg.kuujia.com/scimg/53000/52962-41-1x500.png)
52962-41-1 structure
Product Name:1-Propanesulfonic acid, 3-[(3-hydroxyphenyl)amino]-
CAS No:52962-41-1
MF:C9H13NO4S
MW:231.26882147789
CID:1580315
PubChem ID:14619920
Update Time:2025-04-21
1-Propanesulfonic acid, 3-[(3-hydroxyphenyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanesulfonic acid, 3-[(3-hydroxyphenyl)amino]-
- 3-(3-hydroxyanilino)propane-1-sulfonic acid
- MYIXTCOYKWNPBO-UHFFFAOYSA-N
- DTXSID30562287
- SCHEMBL11475109
- 3-(gamma-sulfopropylamino)-phenol
- 52962-41-1
-
- Inchi： 1S/C9H13NO4S/c11-9-4-1-3-8(7-9)10-5-2-6-15(12,13)14/h1,3-4,7,10-11H,2,5-6H2,(H,12,13,14)
- InChI Key： MYIXTCOYKWNPBO-UHFFFAOYSA-N
- SMILES： S(CCCNC1C=CC=C(C=1)O)(=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-[(3-hydroxyphenyl)amino]- Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
52962-41-1 (1-Propanesulfonic acid, 3-[(3-hydroxyphenyl)amino]-) Related Products
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