N-Methylmethanesulfonamide - ≥98% , CAS No.1184-85-6

CAS: 1184-85-6 Cat. No.: M121825 Molecular Weight: 109.14 EC Number: 601-529-5

GRADE & PURITY ≥98%

Synonyms

2,2'-(5-methyl-1,3-phenylene)-di-(2-methylpropionitrile) | N-methyl methylsulfonamide | SB75562 | Methanesulfonic acid methylamide | AMY40669 | Methanesulfonamide, N-methyl- | Methansulfonsaure-N-methylamid [German] | N-Methyl methanesulfonamide | UNII-3C

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

2, 2'-(5-methyl-1, 3-phenylene)-di-(2-methylpropionitrile) | N-methyl methylsulfonamide | SB75562 | Methanesulfonic acid methylamide | AMY40669 | Methanesulfonamide, N-methyl- | Methansulfonsaure-N-methylamid [German] | N-Methyl methanesulfonamide | UNII-3C

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488187062
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187062
• Canonical Smiles: CNS(=O)(=O)C
• IUPAC Name: N-methylmethanesulfonamide
• InChIKey: UHNHTTIUNATJKL-UHFFFAOYSA-N
• INCHI: 1S/C2H7NO2S/c1-3-6(2,4)5/h3H,1-2H3
• Isomeric SMILES: CNS(=O)(=O)C
• RTECS: PB0476750
• UN Number: 1993
• Packing Group: III
• Molecular Weight: 109.14
• Reaxy-Rn: 1633748
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1633748&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonamides
• Alternative Parents: Organic sulfonamides Aminosulfonyl compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organosulfonic acid amide - Organic sulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organosulfonamides. These are compounds containing the sulfonamide functional group, an amide of sulfonic acid with the general structure R1S(=O)2N(R2)R3 (R1=alkyl, aryl; R2,R3=H, alkyl, aryl).
• 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

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Refractive Index: 1.45
• Flash Point(°C): 53 °C
• Boil Point(°C): 118°C/0.3mmHg
• Molecular Weight: 109.150 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 109.02 Da
• Monoisotopic Mass: 109.02 Da
• Topological Polar Surface Area: 54.600 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 108.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1