Cas no 56157-79-0 (2-Naphthalenecarboxylic acid, 2-(dimethylamino)ethyl ester)
56157-79-0 structure
Product Name:2-Naphthalenecarboxylic acid, 2-(dimethylamino)ethyl ester
CAS No:56157-79-0
MF:C15H17NO2
MW:243.300984144211
CID:349659
PubChem ID:71444819
Update Time:2025-04-19
2-Naphthalenecarboxylic acid, 2-(dimethylamino)ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Naphthalenecarboxylic acid, 2-(dimethylamino)ethyl ester
- 2-(dimethylamino)ethyl naphthalene-2-carboxylate
- 56157-79-0
- DTXSID20853570
-
- Inchi： 1S/C15H17NO2/c1-16(2)9-10-18-15(17)14-8-7-12-5-3-4-6-13(12)11-14/h3-8,11H,9-10H2,1-2H3
- InChI Key： IYPYGXQTRZHOQJ-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC2C=CC=CC=2C=1)=O)CCN(C)C
Computed Properties
- Exact Mass: 243.12601
- Monoisotopic Mass: 243.125928785g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 278
- 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: 3.6
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- PSA: 29.54
2-Naphthalenecarboxylic acid, 2-(dimethylamino)ethyl ester Related Literature
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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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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
56157-79-0 (2-Naphthalenecarboxylic acid, 2-(dimethylamino)ethyl ester) Related Products
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