Cas no 2572-39-6 (Benzoic acid,2-(diethylamino)ethyl ester)
2572-39-6 structure
Product Name:Benzoic acid,2-(diethylamino)ethyl ester
Benzoic acid,2-(diethylamino)ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2-(diethylamino)ethyl ester
- 2-(diethylamino)ethyl benzoate
- 4-09-00-00561 (Beilstein Handbook Reference)
- 2-diethylaminoethyl benzoate
- AI3-05644
- 2572-39-6
- BRN 1959437
- SCHEMBL453815
- 2-(Diethylamino)ethyl benzoate HCl
- XQV4S4W9G3
- BENZOIC ACID, 2-(DIETHYLAMINO)ETHYL ESTER
- .beta.-Benzoyloxyethyl diethylamine
- beta-Benzoyloxyethyl diethylamine
- UNII-XQV4S4W9G3
- 2-(Diethylamino)ethyl benzoate #
- Ethanol, 2-diethylamino-, benzoate
- AE-641/04594033
- GEVPHAFTDXTZHY-UHFFFAOYSA-N
- DTXSID10180408
-
- Inchi： 1S/C13H19NO2/c1-3-14(4-2)10-11-16-13(15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
- InChI Key： GEVPHAFTDXTZHY-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1)=O)CCN(CC)CC
Computed Properties
- Exact Mass: 257.118
- Monoisotopic Mass: 257.118
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 196
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- Density: 1.019g/cm3
- Boiling Point: 304.8oC at 760 mmHg
- Flash Point: 106.7oC
- Refractive Index: 1.509
- LogP: 2.18520
Benzoic acid,2-(diethylamino)ethyl ester Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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