Cas no 72943-20-5 (1-Propanesulfonic acid,3-(phenylamino)-)
72943-20-5 structure
Product Name:1-Propanesulfonic acid,3-(phenylamino)-
CAS No:72943-20-5
MF:C9H13NO3S
MW:215.269421339035
CID:569139
PubChem ID:3018384
Update Time:2025-04-19
1-Propanesulfonic acid,3-(phenylamino)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanesulfonic acid,3-(phenylamino)-
- 3-anilinopropane-1-sulfonic acid
- 3-anilinopropanesulphonic acid
- 3-(phenylamino)propane-1-sulfonic acid
- 3-anilino-1-propanesulfonic acid
- SCHEMBL246721
- NS00060066
- AKOS024333984
- EINECS 277-117-0
- (3-sulfopropyl)aniline
- 72943-20-5
- DTXSID90993715
-
- Inchi： 1S/C9H13NO3S/c11-14(12,13)8-4-7-10-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,11,12,13)
- InChI Key： NYLUYMWPXIIXDX-UHFFFAOYSA-N
- SMILES： S(CCCNC1C=CC=CC=1)(=O)(=O)O
Computed Properties
- Exact Mass: 215.06169
- Monoisotopic Mass: 215.062
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 239
- 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: 74.8?2
Experimental Properties
- Density: 1.341
- Refractive Index: 1.596
- PSA: 66.4
1-Propanesulfonic acid,3-(phenylamino)- Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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