Cas no 62585-43-7 (Propanenitrile, 3-[[6-(acetyloxy)hexyl]oxy]-)
![Propanenitrile, 3-[[6-(acetyloxy)hexyl]oxy]- structure](https://ossimg.kuujia.com/scimg/63000/62585-43-7x500.png)
62585-43-7 structure
Product Name:Propanenitrile, 3-[[6-(acetyloxy)hexyl]oxy]-
CAS No:62585-43-7
MF:C11H19NO3
MW:213.273463487625
CID:439088
PubChem ID:71384933
Update Time:2025-04-19
Propanenitrile, 3-[[6-(acetyloxy)hexyl]oxy]- Chemical and Physical Properties
Names and Identifiers
-
- Propanenitrile, 3-[[6-(acetyloxy)hexyl]oxy]-
- 6-(2-cyanoethoxy)hexyl acetate
- 62585-43-7
- DTXSID90807181
-
- Inchi： 1S/C11H19NO3/c1-11(13)15-10-5-3-2-4-8-14-9-6-7-12/h2-6,8-10H2,1H3
- InChI Key： TWFIQOJNCVYWGM-UHFFFAOYSA-N
- SMILES： O(CCC#N)CCCCCCOC(C)=O
Computed Properties
- Exact Mass: 213.13657
- Monoisotopic Mass: 213.13649347g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 10
- Complexity: 207
- 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: 1.1
- Topological Polar Surface Area: 59.3?2
Experimental Properties
- PSA: 59.32
Propanenitrile, 3-[[6-(acetyloxy)hexyl]oxy]- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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