Cas no 67801-04-1 (4-[[ethyl(3-methylphenyl)amino]methyl]benzenesulphonic acid)
![4-[[ethyl(3-methylphenyl)amino]methyl]benzenesulphonic acid structure](https://ossimg.kuujia.com/scimg/68000/67801-04-1x500.png)
67801-04-1 structure
Product Name:4-[[ethyl(3-methylphenyl)amino]methyl]benzenesulphonic acid
CAS No:67801-04-1
MF:C16H19NO3S
MW:305.391963243485
CID:967051
PubChem ID:94926
Update Time:2025-04-19
4-[[ethyl(3-methylphenyl)amino]methyl]benzenesulphonic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-[[ethyl(3-methylphenyl)amino]methyl]benzenesulphonic acid
- 4-[(N-ethyl-3-methylanilino)methyl]benzenesulfonic acid
- 11-(Aethyl-m-toluidino)-toluol-sulfonsaeure-(4
- 4-((Ethyl(3-methylphenyl)amino)methyl)benzenesulfonic acid
- 4-((Ethyl(3-methylphenyl)amino)methyl)benzenesulphonic acid
- 4-(N-ethyl-m-toluidinomethyl)-benzenesulfonic acid
- 4-[[Ethyl(3-methylphenyl)amino]methyl]benzenesulfonic acid
- AC1Q6WOG
- Benzenesulfonic acid, 4-((ethyl(3-methylphenyl)amino)methyl)-
- Benzenesulfonic acid, 4-[[ethyl(3-methylphenyl)amino]methyl]-
- 67801-04-1
- NSC-8663
- EINECS 267-124-7
- NSC 8663
- NS00053531
- DTXSID70886893
- NSC8663
- GEGYISULLZOCOD-UHFFFAOYSA-N
- DS-010311
-
- Inchi： 1S/C16H19NO3S/c1-3-17(15-6-4-5-13(2)11-15)12-14-7-9-16(10-8-14)21(18,19)20/h4-11H,3,12H2,1-2H3,(H,18,19,20)
- InChI Key： GEGYISULLZOCOD-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=CC=1)CN(C1C=CC=C(C)C=1)CC)(=O)(=O)O
Computed Properties
- Exact Mass: 305.10867
- Monoisotopic Mass: 305.10856464g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 410
- 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: 3
- Topological Polar Surface Area: 66?2
Experimental Properties
- PSA: 57.61
- LogP: 4.34900
4-[[ethyl(3-methylphenyl)amino]methyl]benzenesulphonic acid Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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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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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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