Dimethylamine monosulfate - ≥95% , CAS No.21249-13-8

CAS: 21249-13-8 Cat. No.: D976670 EG-Nummer: 244-293-5,245-570-3 PubChem CID: 159906

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: CNC.OS(=O)(=O)O
• IUPAC Name: N-methylmethanamine;sulfuric acid
• InChIKey: NCIDKUDOSHBPMB-UHFFFAOYSA-N
• INCHI: 1S/C2H7N.H2O4S/c1-3-2;1-5(2,3)4/h3H,1-2H3;(H2,1,2,3,4)
• Isomere SMILES: CNC.OS(=O)(=O)O
• Alternative CAS-Nummer: 21249-13-8,37773-96-9,23307-05-3,23307-05-3,124-40-3 (Parent),124-40-3 (Parent)
• PubChem CID: 159906
• MeSH-Eintrag: dimethylamine;dimethylamine hydrochloride;dimethylamine monosulfate;dimethylamine nitrate;dimethylamine perchlorate;dimethylamine phosphate (3:1);dimethylamine sulfate;dimethylamine sulfate (1:1);dimethylamine, conjugate acid;dimethylammonium chloride;dim

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Organic sulfuric acids and derivatives
      • Subclass Organic sulfuric acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Organic sulfuric acids and derivatives
• Subclass: Organic sulfuric acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic sulfuric acids
• Alternative Parents: Dialkylamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfuric acid - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as organic sulfuric acids. These are organic compounds containing the sulfuric acid functional group, with the generic structure HOS(=O)(=O)OH.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 143.160 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 143.025 Da
• Monoisotopic Mass: 143.025 Da
• Topological Polar Surface Area: 95.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 84.100
• 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: 2

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