Cas no 51299-82-2 (Propanenitrile,3-propoxy-)
Propanenitrile,3-propoxy- structure
Product Name:Propanenitrile,3-propoxy-
Propanenitrile,3-propoxy- Chemical and Physical Properties
Names and Identifiers
-
- Propanenitrile,3-propoxy-
- 3-propoxypropanenitrile
- 3-propoxypropiononitrile
- 3-PROPOXYPROPANONITRILE
- 3-Propoxy-propionitril
- 3-propoxypropionitrile
- 3-propoxy-propionitrile
- 3-Propyloxy-propionitril
- 3-Propyloxy-propionsaeurenitril
- AC1L3SW3
- CTK4J4002
- EINECS 257-118-2
- NSC2618
- MFCD06252337
- NSC 2618
- (2-cyanoethoxy)propane
- NSC-2618
- NS00032253
- DTXSID70199293
- SCHEMBL1343185
- 3-propoxy-propanenitrile
- 51299-82-2
-
- Inchi： 1S/C6H11NO/c1-2-5-8-6-3-4-7/h2-3,5-6H2,1H3
- InChI Key： RBCSSAWYWYRREH-UHFFFAOYSA-N
- SMILES： O(CCC#N)CCC
Computed Properties
- Exact Mass: 113.08413
- Monoisotopic Mass: 113.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 4
- Complexity: 81.8
- 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: 0.7
- Topological Polar Surface Area: 33?2
Experimental Properties
- Density: 0.888
- Boiling Point: 196.4°Cat760mmHg
- Flash Point: 79.1°C
- Refractive Index: 1.409
- PSA: 33.02
- LogP: 1.32668
Propanenitrile,3-propoxy- Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
-
Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
-
S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
-
P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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