Cas no 94023-57-1 (b-Alanine,N-(2-carboxyethyl)-N-dodecyl-, monoammonium salt (9CI))
94023-57-1 structure
Product Name:b-Alanine,N-(2-carboxyethyl)-N-dodecyl-, monoammonium salt (9CI)
CAS No:94023-57-1
MF:C18H41N3O4
MW:363.535845518112
CID:807403
PubChem ID:44152158
Update Time:2025-04-19
b-Alanine,N-(2-carboxyethyl)-N-dodecyl-, monoammonium salt (9CI) Chemical and Physical Properties
Names and Identifiers
-
- b-Alanine,N-(2-carboxyethyl)-N-dodecyl-, monoammonium salt (9CI)
- ammonium N-(2-carboxyethyl)-N-dodecyl-beta-alaninate
- EINECS 301-655-8
- SCHEMBL2331505
- 94023-57-1
-
- Inchi： 1S/C18H35NO4.2H3N/c1-2-3-4-5-6-7-8-9-10-11-14-19(15-12-17(20)21)16-13-18(22)23;;/h2-16H2,1H3,(H,20,21)(H,22,23);2*1H3
- InChI Key： OEYISMOCJILKRY-UHFFFAOYSA-N
- SMILES： [O-]C(CCN(CCC(=O)[O-])CCCCCCCCCCCC)=O.[NH4+].[NH4+]
Computed Properties
- Exact Mass: 363.30970680g/mol
- Monoisotopic Mass: 363.30970680g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 25
- Rotatable Bond Count: 15
- Complexity: 278
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 85.5?2
Experimental Properties
- Boiling Point: 520.6°Cat760mmHg
- Flash Point: 268.7°C
b-Alanine,N-(2-carboxyethyl)-N-dodecyl-, monoammonium salt (9CI) Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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