Cas no 25054-73-3 (b-Alanine,N-(2-carboxyethyl)-N-octadecyl-, monosodium salt (9CI))
25054-73-3 structure
Product Name:b-Alanine,N-(2-carboxyethyl)-N-octadecyl-, monosodium salt (9CI)
CAS No:25054-73-3
MF:C24H46NNaO4
MW:435.616118907928
CID:270418
PubChem ID:23556538
Update Time:2025-04-19
b-Alanine,N-(2-carboxyethyl)-N-octadecyl-, monosodium salt (9CI) Chemical and Physical Properties
Names and Identifiers
-
- b-Alanine,N-(2-carboxyethyl)-N-octadecyl-, monosodium salt (9CI)
- sodium,3-[2-carboxyethyl(octadecyl)amino]propanoate
- sodium 3-[(2-carboxyethyl)(octadecyl)amino]propanoate
- Sodium N-(2-carboxyethyl)-N-octadecyl-beta-alaninate
- EINECS 246-582-1
- 25054-73-3
- DTXSID50947911
- NS00084054
-
- Inchi： 1S/C24H47NO4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25(21-18-23(26)27)22-19-24(28)29;/h2-22H2,1H3,(H,26,27)(H,28,29);/q;+1/p-1
- InChI Key： ZWTPGLDWRUXDAX-UHFFFAOYSA-M
- SMILES： [Na+].[O-]C(CCN(CCC(=O)O)CCCCCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 435.33245323g/mol
- Monoisotopic Mass: 435.33245323g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 30
- Rotatable Bond Count: 23
- Complexity: 393
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 80.7?2
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
b-Alanine,N-(2-carboxyethyl)-N-octadecyl-, monosodium salt (9CI) Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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