Cas no 123732-85-4 (Ethanesulfonic acid,2-[(1-methylethyl)phenylamino]-2-oxo-)
![Ethanesulfonic acid,2-[(1-methylethyl)phenylamino]-2-oxo- structure](https://ossimg.kuujia.com/scimg/124000/123732-85-4x500.png)
123732-85-4 structure
Product Name:Ethanesulfonic acid,2-[(1-methylethyl)phenylamino]-2-oxo-
CAS No:123732-85-4
MF:C11H15NO4S
MW:257.30610203743
CID:104022
PubChem ID:16212221
Update Time:2025-04-18
Ethanesulfonic acid,2-[(1-methylethyl)phenylamino]-2-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Ethanesulfonic acid,2-[(1-methylethyl)phenylamino]-2-oxo-
- Propachlor ESA Na-salt, Pestanal
- PROPACHLORESA
- Propachlor metabolite
- DTXSID20891452
- Propachlor- ESA
- 2-[(1-Methylethyl)phenylamino]-2-oxoethanesulfonic acid
- 2-oxo-2-[phenyl(propan-2-yl)amino]ethanesulfonic acid
- CHEBI:83475
- 123732-85-4
- 2-Oxo-2-(N-propan-2-ylanilino)ethanesulfonic acid
- propachlor ESA
- Ethanesulfonic acid, 2-[(1-methylethyl)phenylamino]-2-oxo-
- Propachlor-ESA
- 58W9F4S6QP
- NS00000307
- Q27156857
-
- Inchi： 1S/C11H15NO4S/c1-9(2)12(10-6-4-3-5-7-10)11(13)8-17(14,15)16/h3-7,9H,8H2,1-2H3,(H,14,15,16)
- InChI Key： BFSZJLBDHMMCAH-UHFFFAOYSA-N
- SMILES： S(CC(N(C1C=CC=CC=1)C(C)C)=O)(=O)(=O)O
Computed Properties
- Exact Mass: 279.05400
- Monoisotopic Mass: 257.07217913g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 352
- 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: 0.5
- Topological Polar Surface Area: 83.1?2
Experimental Properties
- Density: 1.333
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.58
- PSA: 85.89000
- LogP: 2.05400
Ethanesulfonic acid,2-[(1-methylethyl)phenylamino]-2-oxo- Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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