Ethanamine, N,N-diethyl-, sulfate (1:?) - ≥95% , CAS No.54272-29-6

CAS: 54272-29-6 Cat. No.: E949982 Formula: C₆H₁₇NO₄S Peso molecolare: 199.270 Numero EC: 259-057-7

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥95%

Nomi e identificatori

Sorrisi canonici

CCN(CC)CC.OS(=O)(=O)O

IUPAC Name

N,N-diethylethanamine;sulfuric acid

InChIKey

JNONJXMVMJSMTC-UHFFFAOYSA-N

INCHI

1S/C6H15N.H2O4S/c1-4-7(5-2)6-3;1-5(2,3)4/h4-6H2,1-3H3;(H2,1,2,3,4)

Peso molecolare

199.270

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Organic sulfuric acids and derivatives
• Subclass: Organic sulfuric acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic sulfuric acids
• Alternative Parents: Trialkylamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfuric acid - Tertiary aliphatic amine - Tertiary amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic acyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 199.270 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 199.088 Da
• Monoisotopic Mass: 199.088 Da
• Topological Polar Surface Area: 86.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 107.000
• 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: 2

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