(Methoxycarbonylsulfamoyl)triethylammonium hydroxide, inner salt - ≥96% , CAS No.29684-56-8

CAS: 29684-56-8 Cat. No.: M138624 Peso molecular: 238.3 Beilstein Registry Number: 1432131 Número EC: 629-648-8

GRADE & PURITY ≥96%

Synonyms

(Methoxycarbonylsulfamoyl)triethylammonium hydroxide, inner salt, 97% | Methyl N-(triethylammoniosulfonyl)carbamate | AS-14675 | J-017605 | MEFENACET [MI] | METHYL-N-(TRIETHYLAMMONIUMSULFONYL)CARBAMATE | NSC 758390 | SCHEMBL22689389 | ((Methoxycarbonyl)su

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

Usually used as powerful dehydration agent for compounds such as secondary and tertiary alcohols, diols, amino alcohols, sugars, etc, including reactions with epoxides.

Specifications

Sinónimos

(Methoxycarbonylsulfamoyl)triethylammonium hydroxide, inner salt, 97% | Methyl N-(triethylammoniosulfonyl)carbamate | AS-14675 | J-017605 | MEFENACET [MI] | METHYL-N-(TRIETHYLAMMONIUMSULFONYL)CARBAMATE | NSC 758390 | SCHEMBL22689389 | ((Methoxycarbonyl)su

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥96%

Nombres e identificadores

• Sonrisas canónicas: CC[N+](CC)(CC)S(=O)(=O)N=C([O-])OC
• IUPAC Name: (1E)-1-methoxy-N-(triethylazaniumyl)sulfonylmethanimidate
• InChIKey: YSHOWEKUVWPFNR-UHFFFAOYSA-N
• INCHI: 1S/C8H18N2O4S/c1-5-10(6-2,7-3)15(12,13)9-8(11)14-4/h5-7H2,1-4H3
• Isómeros SMILES: CC[N+](CC)(CC)S(=O)(=O)/N=C(\[O-])/OC
• WGK Alemania: 3
• Peso molecular: 238.3
• Beilstein: 1432131
• Reaxy-Rn: 1432131
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1432131&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic sulfuric acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic sulfuric acids and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic sulfuric acids and derivatives
• Alternative Parents: Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic sulfuric acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as organic sulfuric acids and derivatives. These are organic compounds containing the sulfuric acid or a derivative thereof.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Solubilidad: Soluble in organic solvents.
• Sensibilidad: Heat & Moisture sensitive.
• Punto de fusión (°C): 79 °C
• Peso molecular: 238.310 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 238.099 Da
• Monoisotopic Mass: 238.099 Da
• Topological Polar Surface Area: 87.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 306.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1