3-(Aminocarbonyl)-1-(3-sulphonatopropyl)pyridinium

Base Information

• Chemical Name: 3-(Aminocarbonyl)-1-(3-sulphonatopropyl)pyridinium
• CAS No.: 51652-08-5
• Molecular Formula: C9H12 N2 O4 S
• Molecular Weight: 244.271
• Hs Code.: 2933399090
• European Community (EC) Number: 257-336-8
• UNII: GU849F29RC
• DSSTox Substance ID: DTXSID10199590
• Wikidata: Q83072495
• Mol file: 51652-08-5.mol

Synonyms:51652-08-5;3-(Aminocarbonyl)-1-(3-sulphonatopropyl)pyridinium;EINECS 257-336-8;3-(Aminocarbonyl)-1-(3-sulfonatopropyl)pyridinium;NICOTINAMIDEN1-PROPYLSULFONATE;3-Carbamoyl-1-(3-sulfopropyl)-pyridinium-betaine;GU849F29RC;SCHEMBL20584015;DTXSID10199590;3-CARBAMOYL-1-(3-SULFONATOPROPYL)PYRIDIN-1-IUM;3-Carbamoyl-1-(3-sulfopropyl)pyridinium hydroxide, inner salt;Pyridinium, 3-(aminocarbonyl)-1-(3-sulfopropyl)-, inner salt

Chemical Property of 3-(Aminocarbonyl)-1-(3-sulphonatopropyl)pyridinium

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 113.54000
• Density: g/cm³
• LogP: 0.97330
• XLogP3: -1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 244.05177804
• Heavy Atom Count: 16
• Complexity: 323

Purity/Quality:

99% ^*data from raw suppliers

NICOTINAMIDE N1-PROPYLSULFONATE INNER SALT 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C[N+](=C1)CCCS(=O)(=O)[O-])C(=O)N

Technology Process of 3-(Aminocarbonyl)-1-(3-sulphonatopropyl)pyridinium

There total 1 articles about 3-(Aminocarbonyl)-1-(3-sulphonatopropyl)pyridinium which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 63.0%

1,3-propanesultone (1120-71-4) + nicotinamide (98-92-0,1255150-40-3) → propyl nicotinamide sulfonate (51652-08-5)

Guidance literature:

In methanol; for 8h; Ambient temperature;

upstream raw materials:

1,3-propanesultone

nicotinamide

Refernces