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70521-74-3

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Basic Information
CAS No.: 70521-74-3
Name: sodium N-(2-hydroxydodecyl)-N-(2-hydroxyethyl)-beta-alaninate
Molecular Structure:
Molecular Structure of 70521-74-3 (sodium N-(2-hydroxydodecyl)-N-(2-hydroxyethyl)-beta-alaninate)
Formula: C17H35NNaO4
Molecular Weight: 339.45
Synonyms: sodium N-(2-hydroxydodecyl)-N-(2-hydroxyethyl)-beta-alaninate;N-(2-Hydroxydodecyl)-N-(2-hydroxyethyl)-β-alanine sodium salt
EINECS: 274-647-4
PSA: 83.83000
LogP: 1.31240
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  • b-Alanine,N-(2-hydroxydodecyl)-N-(2-hydroxyethyl)-, monosodium salt (9CI)

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Specification

This chemical is called Sodium N-(2-hydroxydodecyl)-N-(2-hydroxyethyl)-beta-alaninate, and its CAS registry number is 70521-74-3. With the molecular formula of C17H35NNaO4, its molecular weight is 339.45.

Other characteristics of the Sodium N-(2-hydroxydodecyl)-N-(2-hydroxyethyl)-beta-alaninate can be summarised as followings: (1)#H bond acceptors: 5; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 18; (4)Polar Surface Area: 83.83 Å2.

You can still convert the following datas into molecular structure:
1.SMILES: [Na+].OCCN(CC(O)CCCCCCCCCC)CCC([O-])=O
2.InChI: InChI=1/C17H35NO4.Na/c1-2-3-4-5-6-7-8-9-10-16(20)15-18(13-14-19)12-11-17(21)22;/h16,19-20H,2-15H2,1H3,(H,21,22);/q;+1/p-1
3.InChIKey: AWEMLNGDYQCSIB-REWHXWOFAP