Ethoxy(methyl)amine hydrochloride - ≥95% , CAS No.1082680-18-9

CAS: 1082680-18-9 Cat. No.: E980657 Fórmula: C₃H₉NO•HCl Peso molecular: 111.57 Número CE: 834-290-2 PubChem CID: 75481715

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Pureza

≥95%

Nomes e identificadores

• Sorrisos canónicos: CCONC.Cl
• IUPAC Name: N-ethoxymethanamine;hydrochloride
• InChIKey: KXYBEPUZXKEMGZ-UHFFFAOYSA-N
• INCHI: 1S/C3H9NO.ClH/c1-3-5-4-2;/h4H,3H2,1-2H3;1H
• SMILES isoméricas: CCONC.Cl
• PubChem CID: 75481715
• Peso molecular: 111.57

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass N-organohydroxylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: N-organohydroxylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-organohydroxylamines
• Alternative Parents: Organopnictogen compounds Organooxygen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: N-organohydroxylamine - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as n-organohydroxylamines. These are organic compounds comprising the hydroxylamine functional group, with the general structure R1ON(R2)R3 (R1,R3=H, organyl; R2 = organyl).
• 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

Propriedades químicas e físicas

• Peso molecular: 111.570 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 111.045 Da
• Monoisotopic Mass: 111.045 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 16.400
• 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

XLogP3