N-Ethyldiethanolamine - ≥98% , CAS No.139-87-7

CAS: 139-87-7 Cat. No.: N138207 Formula: C₆H₁₅NO₂ Peso molecolare: 133.19 Numero EC: 205-379-8

QUALITÀ & PUREZZA ≥98%

Synonyms

2,2'-(Ethylazanediyl)diethanol | Ethyldiethanolamine

Storage

Room temperature

Shipped In

Normal

Panoramica

N-Ethyldiethanolamine was used in the analysis of urine for assaying nitrogen mustard metabolites.

N-Ethyldiethanolamine can be identified in water, urine and blood samples by gas chromatography-mass spectrometry (GC-MS).

N-Ethyldiethanolamine is a precursor of VX type nerve agent.

Specifiche

Sinonimi

2,2'-(Ethylazanediyl)diethanol | Ethyldiethanolamine

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488180879

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180879

Sorrisi canonici

CCN(CCO)CCO

IUPAC Name

2-[ethyl(2-hydroxyethyl)amino]ethanol

InChIKey

AKNUHUCEWALCOI-UHFFFAOYSA-N

INCHI

1S/C6H15NO2/c1-2-7(3-5-8)4-6-9/h8-9H,2-6H2,1H3

Isomeri SMILES

CCN(CCO)CCO

WGK Germania

2

RTECS

KK9800000

Peso molecolare

133.19

Reaxy-Rn

1735791

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1735791&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Amines
        • Level5 Alkanolamines
          • Level6 1,2-aminoalcohols

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Alkanolamines
• Direct Parent: 1,2-aminoalcohols
• Alternative Parents: Trialkylamines Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary aliphatic amine - Tertiary amine - 1,2-aminoalcohol - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 1,2-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom.
• 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

• Indice di rifrazione: 1.4665
• Punto di ebollizione (°C): 246-252 °C
• Punto di fusione (°C): -50 °C
• Peso molecolare: 133.190 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 133.11 Da
• Monoisotopic Mass: 133.11 Da
• Topological Polar Surface Area: 43.700 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 53.000
• 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