Cas no 69003-47-0 (b-Alanine,N-(2-carboxyethyl)-N-(1-oxododecyl)-, monosodium salt (9CI))
69003-47-0 structure
Product Name:b-Alanine,N-(2-carboxyethyl)-N-(1-oxododecyl)-, monosodium salt (9CI)
CAS No:69003-47-0
MF:C18H32NNaO5
MW:365.440156936646
CID:515685
PubChem ID:56841523
Update Time:2025-04-19
b-Alanine,N-(2-carboxyethyl)-N-(1-oxododecyl)-, monosodium salt (9CI) Chemical and Physical Properties
Names and Identifiers
-
- b-Alanine,N-(2-carboxyethyl)-N-(1-oxododecyl)-, monosodium salt (9CI)
- sodium N-(2-carboxyethyl)-N-(1-oxododecyl)-beta-alaninate
- sodium,3-[2-carboxyethyl(dodecanoyl)amino]propanoate
- sodium 3-(2-carboxyethyl-dodecanoyl-amino)propanoate
- NS00091216
- UNII-B80PV29PRU
- DTXSID30219062
- B80PV29PRU
- 69003-47-0
- EINECS 273-681-7
- .BETA.-ALANINE, N-(2-CARBOXYETHYL)-N-(1-OXODODECYL)-, SODIUM SALT (1:1)
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- Inchi： 1S/C18H33NO5.Na/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;+1/p-1
- InChI Key： ATVSSLLGMPQIQW-UHFFFAOYSA-M
- SMILES： [Na+].O=C(CCCCCCCCCCC)N(CCC(=O)O)CCC(=O)[O-]
Computed Properties
- Exact Mass: 440.29266
- Monoisotopic Mass: 440.29266
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 32
- Rotatable Bond Count: 17
- Complexity: 607
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 9.5
- Topological Polar Surface Area: 52.6
b-Alanine,N-(2-carboxyethyl)-N-(1-oxododecyl)-, monosodium salt (9CI) Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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