Sodium 3-(N-ethyl-3-methylanilino)-2-hydroxypropanesulfonate supplier

Name
Sodium 3-(N-ethyl-3-methylanilino)-2-hydroxypropanesulfonate
EINECS 420-430-6
CAS No. 82692-93-1
Density
Solubility
Melting Point
Formula C₁₂H₁₈NNaO₄S
Boiling Point
Molecular Weight 295.335
Flash Point
Transport Information
Appearance White crystalline powder
Safety 26-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1-Propanesulfonicacid, 3-[ethyl(3-methylphenyl)amino]-2-hydroxy-, monosodium salt (9CI);1-Propanesulfonic acid, 3-[ethyl(3-methylphenyl)amino]-2-hydroxy-, sodium salt (1:1);Sodium 3-[ethyl(3-methylphenyl)amino]-2-hydroxy-1-propanesulfonate;3-(N-Ethyl-m-toluidino)-2-hydroxypropanesulfonic acid sodium salt;N-Ethyl-N-(2-hydroxy-3-sulfopropyl)-3-methyl;N-Ethyl-N-(2-hydroxy-3-sulfopropyl)-m-toluidine sodium salt;TOOS;
PSA 89.05000
LogP 1.80820

Sodium 3-(N-ethyl-3-methylanilino)-2-hydroxypropanesulfonate Specification

The Sodium 3-(N-ethyl-3-methylanilino)-2-hydroxypropanesulfonate, with the CAS registry number 82692-93-1, has the systematic name of sodium sodium 3-[ethyl(3-methylphenyl)amino]-2-hydroxypropane-1-sulfonate. It is a kind of white crystalline powder, and belongs to the product category of Pharmaceutical Raw Materials. And the molecular formula of the chemical is C₁₂H₁₈NNaO₄S.

The characteristics of Sodium 3-(N-ethyl-3-methylanilino)-2-hydroxypropanesulfonate are as followings: (1)ACD/LogP: 0.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 75.22 Å².

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Na+].[O-]S(=O)(=O)CC(O)CN(c1cc(ccc1)C)CC
(2)InChI: InChI=1/C12H19NO4S.Na/c1-3-13(8-12(14)9-18(15,16)17)11-6-4-5-10(2)7-11;/h4-7,12,14H,3,8-9H2,1-2H3,(H,15,16,17);/q;+1/p-1
(3)InChIKey: IRQRBVOQGUPTLG-REWHXWOFAG

Product Name

Sodium 3-(N-ethyl-3-methylanilino)-2-hydroxypropanesulfonate

Sodium 3-(N-ethyl-3-methylanilino)-2-hydroxypropanesulfonate Specification

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