1-Dimethylcarbamoyl-4-(2-sulfonatoethyl)pyridinium

Base Information

• Chemical Name: 1-Dimethylcarbamoyl-4-(2-sulfonatoethyl)pyridinium
• CAS No.: 136997-71-2
• Deprecated CAS: 287958-12-7
• Molecular Formula: C10H14 N2 O4 S
• Molecular Weight: 258.29
• Hs Code.: 2933399090
• European Community (EC) Number: 418-440-0,621-503-7
• DSSTox Substance ID: DTXSID90889407
• Wikidata: Q82869200
• Mol file: 136997-71-2.mol

Synonyms:136997-71-2;1-dimethylcarbamoyl-4-(2-sulfonatoethyl)pyridinium;1-Dimethylcarbamoyl-4-(2-sulfoethyl)pyridinium betaine;2-[1-(dimethylcarbamoyl)pyridin-1-ium-4-yl]ethanesulfonate;1-(N,N-Dimethylcarbamoyl)-4-(2-sulfoethyl)pyridinium hydroxide inner salt;EC 418-440-0;2-(1-(Dimethylcarbamoyl)pyridin-1-ium-4-yl)ethanesulfonate;Pyridinium, 1-((dimethylamino)carbonyl)-4-(2-sulfoethyl)-, inner salt;Pyridinium, 1-[(dimethylamino)carbonyl]-4-(2-sulfoethyl)-, inner salt;1-(Dimethylcarbamoyl)-4-(2-sulfoethyl)pyridinium Hydroxide Inner Salt;SCHEMBL5070048;1-Dimethylcarbamoyl-4-(2-sulfoethyl)pyridinium inner salt;DTXSID90889407;SJHHXGGXZKPIDE-UHFFFAOYSA-N;MFCD00185917;AKOS015913598;CS-0445584;D2527;FT-0607706;D90076;Ethyl3-oxo-4-(triphenylphosphoranylidene)butyrate;A807169;2-[1-(Dimethylcarbamoyl)-4-pyridinio]ethylsulfonate;J-006945;1-(dimethylcarbamoyl)-4-(2-sulfonatoethyl)pyridin-1-ium;2-(1-(dimethylcarbamoyl)pyridinium-4-yl)ethanesulfonate;2-(1-(Dimethylcarbamoyl)pyridin-1-ium-4-yl)ethane-1-sulfonate;2-{1-[(dimethylamino)carbonyl]-4-pyridiniumyl}ethanesulfonate;2-[1-[dimethylamino(oxo)methyl]-4-pyridin-1-iumyl]ethanesulfonate;Pyridinium,1-[(dimethylamino)carbonyl]-4-(2-sulfoethyl)-,inner salt

Chemical Property of 1-Dimethylcarbamoyl-4-(2-sulfonatoethyl)pyridinium

Chemical Property:

• Melting Point: 185 ºC (dec.)(lit.)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 89.77000
• Density: g/cm³
• LogP: 0.67230
• Water Solubility.: almost transparency
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 258.06742811
• Heavy Atom Count: 17
• Complexity: 340

Purity/Quality:

99.9% ^*data from raw suppliers

1-(Dimethylcarbamoyl)-4-(2-sulfoethyl)pyridinium Hydroxide Inner Salt ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN(C)C(=O)[N+]1=CC=C(C=C1)CCS(=O)(=O)[O-]