Cas no 52900-31-9 (b-Alanine,N-(2-carboxyethyl)-N-(1-oxododecyl)-, disodium salt (9CI))
52900-31-9 structure
Product Name:b-Alanine,N-(2-carboxyethyl)-N-(1-oxododecyl)-, disodium salt (9CI)
CAS No:52900-31-9
MF:C18H31NNa2O5
MW:387.421987771988
CID:376934
PubChem ID:6452746
Update Time:2025-04-19
b-Alanine,N-(2-carboxyethyl)-N-(1-oxododecyl)-, disodium salt (9CI) Chemical and Physical Properties
Names and Identifiers
-
- b-Alanine,N-(2-carboxyethyl)-N-(1-oxododecyl)-, disodium salt (9CI)
- disodium N-(2-carboxyethyl)-N-(1-oxododecyl)-beta-alaninate
- disodium,3-[2-carboxylatoethyl(dodecanoyl)amino]propanoate
- disodium 3,3'-(dodecanoylimino)dipropanoate
- DTXSID70200954
- EINECS 258-248-2
- 52900-31-9
-
- Inchi： 1S/C18H33NO5.2Na/c1-2-3-4-5-6-7-8-9-10-11-16(20)19(14-12-17(21)22)15-13-18(23)24;;/h2-15H2,1H3,(H,21,22)(H,23,24);;/q;2*+1/p-2
- InChI Key： SQCPKEDRDDRNHU-UHFFFAOYSA-L
- SMILES： [Na+].[Na+].O=C(CCCCCCCCCCC)N(CCC(=O)[O-])CCC(=O)[O-]
Computed Properties
- Exact Mass: 387.199762
- Monoisotopic Mass: 387.199762
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 26
- Rotatable Bond Count: 14
- Complexity: 341
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 101
Experimental Properties
- Boiling Point: 536.6°Cat760mmHg
- Flash Point: 278.4°C
b-Alanine,N-(2-carboxyethyl)-N-(1-oxododecyl)-, disodium salt (9CI) Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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