Cas no 5435-07-4 ( )
structure
Product Name:
CAS No:5435-07-4
MF:C18H23NO2S
MW:317.445723772049
CID:940798
PubChem ID:225599
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- N-Metyl-N-(4-phenyl-butyl)-toluolsulfonamid-(4); N-Methyl-N-(4-phenyl-butyl)-toluol-4-sulfonamid; AC1L5E5M; NSC15172; AR-1K0372; AC1Q6TZ3; N-methyl-N-(4-phenyl-butyl)-toluene-4-sulfonamide;
- NSC-15172
- DS-002027
- DTXSID60280048
- n,4-dimethyl-n-(4-phenylbutyl)benzenesulfonamide
- NSC15172
- 5435-07-4
-
-
- Inchi： 1S/C18H23NO2S/c1-16-11-13-18(14-12-16)22(20,21)19(2)15-7-6-10-17-8-4-3-5-9-17/h3-5,8-9,11-14H,6-7,10,15H2,1-2H3
- InChI Key： MZUIJUUYQWHBPX-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(N(C)CCCCC1C=CC=CC=1)(=O)=O
Computed Properties
- Exact Mass: 317.14509
- Monoisotopic Mass: 317.145
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 7
- Complexity: 401
- 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: 4.1
- Topological Polar Surface Area: 45.8?2
Experimental Properties
- Density: 1.127
- Boiling Point: 464.8°C at 760 mmHg
- Flash Point: 234.9°C
- Refractive Index: 1.566
- PSA: 37.38
Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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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
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