Cas no 61657-37-2 (1-Butanaminium, N,N,N-tributyl-, benzenesulfonate)
61657-37-2 structure
Product Name:1-Butanaminium, N,N,N-tributyl-, benzenesulfonate
CAS No:61657-37-2
MF:C22H41NO3S
MW:399.630845785141
CID:471124
PubChem ID:13226546
Update Time:2025-04-19
1-Butanaminium, N,N,N-tributyl-, benzenesulfonate Chemical and Physical Properties
Names and Identifiers
-
- 1-Butanaminium, N,N,N-tributyl-, benzenesulfonate
- benzenesulfonate,tetrabutylazanium
- DTXSID50530069
- N,N,N-Tributylbutan-1-aminium benzenesulfonate
- tetrabutylammonium benzenesulfonate
- SCHEMBL332036
- 61657-37-2
-
- Inchi： 1S/C16H36N.C6H6O3S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;7-10(8,9)6-4-2-1-3-5-6/h5-16H2,1-4H3;1-5H,(H,7,8,9)/q+1;/p-1
- InChI Key： RMMHSICOEYFJRP-UHFFFAOYSA-M
- SMILES： S(C1C=CC=CC=1)(=O)(=O)[O-].[N+](CCCC)(CCCC)(CCCC)CCCC
Computed Properties
- Exact Mass: 399.28093
- Monoisotopic Mass: 399.28071534g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 27
- Rotatable Bond Count: 12
- Complexity: 286
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 65.6?2
Experimental Properties
- PSA: 57.2
1-Butanaminium, N,N,N-tributyl-, benzenesulfonate Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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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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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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