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CAS No.: 40567-80-4
Name: Sodium 3-(N-ethyl-3-methylanilino)propanesulfonate
Molecular Structure:
Molecular Structure of 40567-80-4 (Sodium 3-(N-ethyl-3-methylanilino)propanesulfonate)
Formula: C12H18NNaO3S
Molecular Weight: 279.33
Synonyms: 1-Propanesulfonicacid, 3-[ethyl(3-methylphenyl)amino]-, sodium salt (9CI);sodium 3-[ethyl(3-methylphenyl)amino]propane-1-sulfonate;1-Propanesulfonic acid, 3-[ethyl(3-methylphenyl)amino]-, sodium salt (1:1);Sodium 3-[ethyl(3-methylphenyl)amino]-1-propanesulfonate;Sodium 3-[ethyl(3-methylphenyl)amino]propane-1-sulfonate;3-(Ethyl[3-methylphenyl]amino)-1-propanesulfonic acid;3-(N-Ethyl-3-methylanilino)propanesulfonic acid sodium salt;3-(N-Ethyl-m-toluidino)propanesulfonic acid sodium salt;N-Ethyl-N-(3-sulfopropyl)-3-methylaniline,sodium;TOPS;
EINECS: 999-999-2
Appearance: White powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37/39
PSA: 68.82000
LogP: 2.83740
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    good quality, competitive price, thoughtful after sale serviceAppearance:white powder Storage:Keep it in dry,shady and cool place Package:25kg,50kg,180kg,200kg,250kg,1000kg,customization Application:Pharma;Industry;Agricultural;chemical reaserch Tran

    Wuhan Circle Star Chem-medic Technology co.,Ltd is located in wuhan, the central city of China, the core of the Changjiang river economic belt and known as the "thoroughfare of ni

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    Tel:+86-13437180835

    Address:Room 02-31, 13 / F, Building 9, Guannan Fuxing Medical Park Phase II, No.58, Guanggu Avenue, East Lake New Technology Development Zone, Wuhan, Hubei, China (Wuhan Area, Free Trade Zone)

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  • N-Ethyl-N-(3-sulfopropyl)-3-Methylaniline sodiuM salt

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    40567-80-4

    N-Ethyl-N-(3-sulfopropyl)-3-Methylaniline sodiuM salt

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    Ansciep Chemical is a professional enterprise manufacturing and distributing fine chemicals and speciality chemicals. We have been dedicated to heterocycle compounds and phenyl rings for tens of years. This is our mature product for export. Our quali

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  • Casno:

    40567-80-4

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    ★.Best quality according to requirement ★.Competitive price in China market ★.Mature Technical support ★.Professional logistic support

    Hangzhou Ocean Chemical Co.ltd is a comprehensive chemical enterprise which mainly integrates R&D, production, marketing business of chemical in lab-pack, semi-bulk and bulk-quanti

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    Business Type:Lab/Research institutions

    Tel:+86-571-88025872, 28272092, 28272096

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Specification

The Sodium 3-(N-ethyl-3-methylanilino)propanesulfonate, with the CAS registry number 40567-80-4, has the systematic name of sodium 3-[ethyl(3-methylphenyl)amino]propane-1-sulfonate. It is a kind of white powder, and belongs to the product categories of Pharmaceutical Raw Materials and Buffer. And the molecular formula of the chemical is C12H18NNaO3S.

The characteristics of Sodium 3-(N-ethyl-3-methylanilino)propanesulfonate are as followings: (1)ACD/LogP: 1.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -2; (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: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6 ; (12) Polar Surface Area: 65.99 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)CCCN(c1cc(ccc1)C)CC
(2)InChI: InChI=1/C12H19NO3S.Na/c1-3-13(8-5-9-17(14,15)16)12-7-4-6-11(2)10-12;/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,14,15,16);/q;+1/p-1
(3)InChIKey: NJZLCEFCAHNYIR-REWHXWOFAT