Cas no 6271-12-1 ( )
structure
Product Name:
CAS No:6271-12-1
MF:C17H21NO2S
MW:303.419143438339
CID:957391
PubChem ID:235599
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- AC1L5UQQ; p-Toluolsulfonsaeure-propylbenzylamid; AR-1K6214; N-Benzyl-N-propyl-toluol-4-sulfonamid; N-benzyl-N-propyl-toluene-4-sulfonamide; AC1Q6V92; NSC37185;
- n-benzyl-4-methyl-n-propylbenzenesulfonamide
- 6271-12-1
- NSC-37185
- NSC37185
- DTXSID20284421
-
-
- Inchi： 1S/C17H21NO2S/c1-3-13-18(14-16-7-5-4-6-8-16)21(19,20)17-11-9-15(2)10-12-17/h4-12H,3,13-14H2,1-2H3
- InChI Key： JEDORWVTOMYTCU-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(N(CC1C=CC=CC=1)CCC)(=O)=O
Computed Properties
- Exact Mass: 303.12943
- Monoisotopic Mass: 303.129
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 6
- Complexity: 388
- 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: 3.8
- Topological Polar Surface Area: 45.8?2
Experimental Properties
- Density: 1.145
- Boiling Point: 442.9°C at 760 mmHg
- Flash Point: 221.7°C
- Refractive Index: 1.573
- PSA: 37.38
- LogP: 4.67670
Related Literature
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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