Ethanol-1,1,2,2-d₄-amine - ≥98%(CP),≥98 atom% D , CAS No.85047-08-1

CAS: 85047-08-1 Cat. No.: E472074 分子式: C₂H₃D₄NO 分子量: 65.11 EC番号: 685-828-6

GRADE & PURITY ≥98%(CP),≥98 atom% D

Synonyms

D98132 | d4-ethanolamine | 2-Aminoethan-1,1,2,2-d4-ol | 2-amino-1,1,2,2-tetradeuterioethanol | 2-amino(?H?)ethan-1-ol | 2-Amino(ethanol-1,1,2,2-d4) | Ethanol-1,1,2,2-d4-amine, 98 atom % D

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

概要

Ethanolamine-d4 (ETA-d4) is the deuterium labeled Ethanolamine (HY-Y0524). Ethanolamine is an organic chemical, which is an important pharmaceutical intermediate.

Specifications

同義語

D98132 | d4-ethanolamine | 2-Aminoethan-1,1,2,2-d4-ol | 2-amino-1,1,2,2-tetradeuterioethanol | 2-amino(?H?)ethan-1-ol | 2-Amino(ethanol-1,1,2,2-d4) | Ethanol-1,1,2,2-d4-amine, 98 atom % D

仕様と純度

≥98%(CP),≥98 atom% D

保管条件

Store at 2-8°C,Protected from light

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%(CP),≥98 atom% D

名前と識別子

• パブケム・シド: 528769510
• カノニカル・スマイル: C(CO)N
• IUPAC Name: 2-amino-1,1,2,2-tetradeuterioethanol
• InChIKey: HZAXFHJVJLSVMW-LNLMKGTHSA-N
• INCHI: 1S/C2H7NO/c3-1-2-4/h4H,1-3H2/i1D2,2D2
• 異性体SMILES: [2H]C([2H])(C([2H])([2H])O)N
• 代替CAS番号: 141-43-5（unlabelled）
• 分子量: 65.11
• Reaxy-Rn: 505944
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=505944&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Alkanolamines
• Direct Parent: 1,2-aminoalcohols
• Alternative Parents: Primary alcohols Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,2-aminoalcohol - Organic oxygen compound - Hydrocarbon derivative - Primary amine - Primary alcohol - Organooxygen compound - Primary aliphatic amine - Alcohol - Aliphatic acyclic compound
• 説明: 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

化学的性質と物理的性質

• 感度: Light sensitive；Moisture sensitive
• 沸点（°C）: 170 °C (lit.)
• 融点（°C）: 11 °C (lit.)
• 分子量: 65.110 g/mol
• XLogP3: -1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 65.0779 Da
• Monoisotopic Mass: 65.0779 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 10.000
• Isotope Atom Count: 4
• 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