CAS No.82692-93-1,Sodium 3-(N-ethyl-3-methylanilino)-2-hydroxypropanesulfonate Suppliers

Products Categories

Pharmaceutical (75)
Others (39)
Organic Chemicals (31)
Reagent (30)
Materials (1)
Plant Extract (1)
Dyestuff and Pigment (1)

Basic Information

Molecular Structure:
CAS No.:	82692-93-1
Name:	Sodium 3-(N-ethyl-3-methylanilino)-2-hydroxypropanesulfonate

Formula:	C₁₂H₁₈NNaO₄S
Molecular Weight:	295.335
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;
EINECS:	420-430-6
Appearance:	White crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39
PSA:	89.05000
LogP:	1.80820

Total:95 Page 1 of 3 1 2 3 Next>>

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 82692-93-1

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