Cas no 5065-82-7 (2-Butenoic acid, 3-[(2-hydroxyethyl)amino]-, ethyl ester)
5065-82-7 structure
Product Name:2-Butenoic acid, 3-[(2-hydroxyethyl)amino]-, ethyl ester
CAS No:5065-82-7
MF:C8H15NO3
MW:173.209602594376
CID:2829435
PubChem ID:5235449
Update Time:2025-04-21
2-Butenoic acid, 3-[(2-hydroxyethyl)amino]-, ethyl ester Chemical and Physical Properties
Names and Identifiers
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- 2-Butenoic acid, 3-[(2-hydroxyethyl)amino]-, ethyl ester
- 5065-82-7
- DTXSID80412122
-
- Inchi: 1S/C8H15NO3/c1-3-12-8(11)6-7(2)9-4-5-10/h6,9-10H,3-5H2,1-2H3
- InChI Key: CUGCWSPLYQOCSG-UHFFFAOYSA-N
- SMILES: O(CC)C(C=C(C)NCCO)=O
Computed Properties
- Exact Mass: 173.10519334Da
- Monoisotopic Mass: 173.10519334Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 166
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 0.9
- Topological Polar Surface Area: 58.6?2
2-Butenoic acid, 3-[(2-hydroxyethyl)amino]-, ethyl ester Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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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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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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