Cas no 94160-09-5 (Benzenediazonium,4-dodecyl-3-sulfo-, inner salt)
94160-09-5 structure
Product Name:Benzenediazonium,4-dodecyl-3-sulfo-, inner salt
CAS No:94160-09-5
MF:C18H28N2O3S
MW:352.491523742676
CID:809654
PubChem ID:3023885
Update Time:2025-04-19
Benzenediazonium,4-dodecyl-3-sulfo-, inner salt Chemical and Physical Properties
Names and Identifiers
-
- Benzenediazonium,4-dodecyl-3-sulfo-, inner salt
- 4-dodecyl-3-sulphonatobenzenediazonium
- 5-diazonio-2-dodecylbenzenesulfonate
- EINECS 303-291-5
- UNII-3QWY2Z4B69
- DTXSID70240890
- 3QWY2Z4B69
- 94160-09-5
- 4-DODECYL-3-SULFONATOBENZENEDIAZONIUM
- NS00065585
-
- Inchi： 1S/C18H28N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17(20-19)15-18(16)24(21,22)23/h13-15H,2-12H2,1H3
- InChI Key： UVAVRRTWWLTJOO-UHFFFAOYSA-N
- SMILES： S(C1C=C(C=CC=1CCCCCCCCCCCC)[N+]#N)(=O)(=O)[O-]
Computed Properties
- Exact Mass: 352.182063
- Monoisotopic Mass: 352.182063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 11
- Complexity: 465
- 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
- Topological Polar Surface Area: 93.7
- XLogP3: 7.5
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
Benzenediazonium,4-dodecyl-3-sulfo-, inner salt Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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