4-Morpholineethanol-d4 - ≥99 atom% D,≥98% , CAS No.1185052-90-7

CAS: 1185052-90-7 Cat. No.: M966935 Fórmula: C₆H₉D₄NO₂ Peso molecular: 135.2 PubChem CID: 45039965

GRADE & PURITY ≥99 atom% D,≥98%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥99 atom% D,≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥99 atom% D,≥98%

Nombres e identificadores

• Sonrisas canónicas: C1COCCN1CCO
• IUPAC Name: 1,1,2,2-tetradeuterio-2-morpholin-4-ylethanol
• InChIKey: KKFDCBRMNNSAAW-RUKOHJPDSA-N
• INCHI: 1S/C6H13NO2/c8-4-1-7-2-5-9-6-3-7/h8H,1-6H2/i1D2,4D2
• Isómeros SMILES: [2H]C([2H])(C([2H])([2H])O)N1CCOCC1
• PubChem CID: 45039965
• Peso molecular: 135.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Morpholines
• Alternative Parents: Trialkylamines 1,2-aminoalcohols Oxacyclic compounds Dialkyl ethers Azacyclic compounds Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Morpholine - 1,2-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Alkanolamine - Dialkyl ether - Oxacycle - Azacycle - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Amine - Organic oxygen compound - Alcohol - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively.
• 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

Propiedades químicas y físicas

• Peso molecular: 135.200 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 135.12 Da
• Monoisotopic Mass: 135.12 Da
• Topological Polar Surface Area: 32.700 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 71.500
• 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

Preguntas frecuentes

What is the purity of this product?

This product is isotopically enriched to ≥99 atom% deuterium. Isotopic enrichment is a separate specification from chemical purity — a labelled compound has both. This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1185052-90-7, the molecular formula is C6H9D4NO2, and the molecular weight is 135.2 g/mol. InChIKey KKFDCBRMNNSAAW-RUKOHJPDSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.