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Butanoic acid, 4-(octadecylamino)-4-oxo-2-sulfo-, sodium salt

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Name

Butanoic acid, 4-(octadecylamino)-4-oxo-2-sulfo-, sodium salt

EINECS 238-479-5
CAS No. 14481-60-8 Density N/A
PSA 132.01000 LogP 4.92570
Solubility N/A Melting Point N/A
Formula C22H43NO6S.2Na Boiling Point N/A
Molecular Weight 493.60 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 14481-60-8 (N-OCTADECYL DISODIUM SULFOSUCCINATE) Hazard Symbols N/A
Synonyms

Astromid 18;Lankropol ODS/LS;Lipal NTD;Octosol A18;Stanfax 318;Butanoicacid, 4-(octadecylamino)-4-oxo-2-sulfo-, disodium salt (9CI);Succinamic acid,N-octadecyl-2-sulfo-, disodium salt (7CI,8CI);Succinamic acid,N-octadecylsulfo-, disodium salt (6CI);A 18 (surfactant);Aerosol 18;Alcopol FA;Alkasurf SS-TA;

 

Butanoic acid, 4-(octadecylamino)-4-oxo-2-sulfo-, sodium salt Specification

This chemical is called Butanedioic acid, 4-(octadecylamino)-4-oxo-2-sulfo-, disodium salt, and its CAS registry number is 14481-60-8. With the molecular formula of C22H43NO6S.2Na, its molecular weight is 493.60. 

Other characteristics of the Butanedioic acid, 4-(octadecylamino)-4-oxo-2-sulfo- can be summarised as followings: (1)ACD/LogP: 6.48; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.93; (4)ACD/LogD (pH 7.4): 1.74; (5)ACD/BCF (pH 5.5): 1.38; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.23; (8)ACD/KOC (pH 7.4): 1.44; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 21; (12)Polar Surface Area: 120.36 Å2.

You can still convert the following datas into molecular structure: 
1.SMILES: [Na+].[Na+].[O-]S(=O)(=O)C(C(=O)[O-])CC(=O)NCCCCCCCCCCCCCCCCCC
2.InChI: InChI=1/C22H43NO6S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-21(24)19-20(22(25)26)30(27,28)29;;/h20H,2-19H2,1H3,(H,23,24)(H,25,26)(H,27,28,29);;/q;2*+1/p-2
3.InChIKey: YXLIYGUJLJFLJH-NUQVWONBAO

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