Cas no 16597-65-2 (Butanoic acid,2-(dimethylamino)ethyl ester)
16597-65-2 structure
Product Name:Butanoic acid,2-(dimethylamino)ethyl ester
Butanoic acid,2-(dimethylamino)ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,2-(dimethylamino)ethyl ester
- 2-(dimethylamino)ethyl butanoate
- 1-Butyryloxy-2-dimethylamino-aethan
- 2-(dimethylamino)ethyl butyrate
- 2-dimethylaminoet
- 2-Dimethylaminoethanol butyrate
- 2-dimethylaminoethyl butyrate
- AC1L39MC
- Buttersaeure-(2-dimethylamino-aethylester)
- butyric acid-(2-dimethylamino-ethyl ester)
- Butyric acid, 2-(dimethylamino)ethyl ester
- Butyric acid, dimethylaminoethyl ester
- Dimethylaminoethyl butyrate
- Butanoic acid 2-(dimethylamino)ethyl ester
- NSC83571
- UNII-2PZY388GM9
- NCOVMJHPLAYTJS-UHFFFAOYSA-N
- 2PZY388GM9
- NSC-83571
- NSC 83571
- SCHEMBL8367998
- DTXSID0066088
- Butanoic acid, 2-(dimethylamino)ethyl ester
- 16597-65-2
-
- Inchi： 1S/C8H17NO2/c1-4-5-8(10)11-7-6-9(2)3/h4-7H2,1-3H3
- InChI Key： NCOVMJHPLAYTJS-UHFFFAOYSA-N
- SMILES： O(C(CCC)=O)CCN(C)C
Computed Properties
- Exact Mass: 159.12601
- Monoisotopic Mass: 159.126
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 113
- 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: 29.5A^2
- XLogP3: 1
Experimental Properties
- Density: 0.929
- Boiling Point: 199.4°Cat760mmHg
- Flash Point: 68.6°C
- Refractive Index: 1.433
- PSA: 29.54
- LogP: 0.89130
Butanoic acid,2-(dimethylamino)ethyl ester Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
16597-65-2 (Butanoic acid,2-(dimethylamino)ethyl ester) Related Products
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