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82692-93-1

Basic Information
CAS No.: 82692-93-1
Name: 1-Propanesulfonic acid,3-[ethyl(3-methylphenyl)amino]-2-hydroxy-, sodium salt (1:1)
Molecular Structure:
Molecular Structure of 82692-93-1 (1-Propanesulfonic acid,3-[ethyl(3-methylphenyl)amino]-2-hydroxy-, sodium salt (1:1))
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
Density: N/A
Melting Point: N/A
Boiling Point: N/A
Flash Point: N/A
Solubility: N/A
Appearance: White crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37/39
Transport Information: N/A
PSA: 89.05000
LogP: 1.80820
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  • 82692-93-1  CAS NO.82692-93-1

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    82692-93-1 CAS NO.82692-93-1

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  • TOOS

  • Casno:

    82692-93-1

    TOOS

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0/

    high purity lowest priceAppearance:solid or liquid Storage:in sealed air resistant place Package:drum and bag Application:for pharma use Transportation:by sea or air Port:Beijing or Guangzhou

    Kono Chem Co.,Ltd is a leading producer of standardized herbal extracts, natural active ingredients and APIs for pharmaceutical, health food and cosmetic industries. Annually, mo

  •  Kono Chem Co.,Ltd

     China (Mainland)  |  Contact Details

    Business Type:Other

    Tel:86-29-86107037-8015

    Address:No.11 Daqing Road,Lianhu District,Xi’an 710082,China

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  • N-Ethyl-N-(2-Hydroxy-3-Sulfopropyl)-3-Methylaniline Sodium Salt (Toos)

  • Casno:

    82692-93-1

    N-Ethyl-N-(2-Hydroxy-3-Sulfopropyl)-3-Methylaniline Sodium Salt (Toos)

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0/

    N-Ethyl-N-(2-Hydroxy-3-Sulfopropyl)-3-Methylaniline Sodium Salt (Toos) supplierAppearance:white to off-white crystalline powder Storage:Keep away of light,cool place Package:25kg/drum;200kg/drum Application:Pharma Intermediate Transportation:Sea/air

    Orchid Chemical was established in 2009; we are headquartered in Hangzhou, which is 200 km from China's biggest sea port, Shanghai. Orchid chemical is a joint-venture company, com

  •  ORCHID CHEMICAL SUPPLIES LTD

     China (Mainland)  |  Contact Details

    Business Type:Other

    Tel:+86-571-85395792

    Address:607, North Zhongshan Road, Hangzhou 310000 China

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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