Cas no 90853-19-3 (N-[2-(dimethylamino)ethyl]alanine)
![N-[2-(dimethylamino)ethyl]alanine structure](https://ossimg.kuujia.com/scimg/91000/90853-19-3x500.png)
90853-19-3 structure
Product Name:N-[2-(dimethylamino)ethyl]alanine
CAS No:90853-19-3
MF:C7H16N2O2
MW:160.214141845703
CID:1956082
PubChem ID:56141
Update Time:2025-04-21
N-[2-(dimethylamino)ethyl]alanine Chemical and Physical Properties
Names and Identifiers
-
- N-[2-(dimethylamino)ethyl]alanine
- N-(2-(DIMETHYLAMINO)ETHYL)ALANINE
- 90853-19-3
- DTXSID60920114
-
- Inchi： 1S/C7H16N2O2/c1-6(7(10)11)8-4-5-9(2)3/h6,8H,4-5H2,1-3H3,(H,10,11)
- InChI Key： ZJRBCSQZUOKNIQ-UHFFFAOYSA-N
- SMILES： OC(C(C)NCCN(C)C)=O
Computed Properties
- Exact Mass: 160.121
- Monoisotopic Mass: 160.121
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 126
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 52.6A^2
- XLogP3: -2.4
Experimental Properties
- Density: 1.032
- Boiling Point: 256.9°C at 760 mmHg
- Flash Point: 109.2°C
- Refractive Index: 1.47
N-[2-(dimethylamino)ethyl]alanine Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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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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