Cas no 53411-95-3 (2-(1-ethoxyethoxy)propanenitrile)
53411-95-3 structure
Product Name:2-(1-ethoxyethoxy)propanenitrile
CAS No:53411-95-3
MF:C7H13NO2
MW:143.183622121811
CID:1585928
PubChem ID:103780
Update Time:2025-04-21
2-(1-ethoxyethoxy)propanenitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-(1-ethoxyethoxy)propanenitrile
- propanenitrile, 2-(1-ethoxyethoxy)-
- BRN 1752165
- Propionitrile, 2-(1-ethoxyethoxy)-
- 53411-95-3
- DTXSID90968069
- 1-Ethoxy-1-(1-cyanoethoxy)ethane
- SCHEMBL10844987
- Ethane, 1-ethoxy-1-(1-cyanoethoxy)-
- USAF A-10635
-
- Inchi： 1S/C7H13NO2/c1-4-9-7(3)10-6(2)5-8/h6-7H,4H2,1-3H3
- InChI Key： QCIGZEVBUMNSPE-UHFFFAOYSA-N
- SMILES： O(C(C#N)C)C(C)OCC
Computed Properties
- Exact Mass: 143.09469
- Monoisotopic Mass: 143.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 127
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1
- Topological Polar Surface Area: 42.2?2
Experimental Properties
- Density: 0.948
- Boiling Point: 181.9°C at 760 mmHg
- Flash Point: 62.5°C
- Refractive Index: 1.415
- PSA: 42.25
2-(1-ethoxyethoxy)propanenitrile Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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