4-Morpholineethanol, alpha,alpha-diphenyl- , CAS No.13150-37-3

CAS: 13150-37-3 Cat. No.: M1021898 Fórmula: C₁₈H₂₁NO₂ Peso molecular: 283.37 PubChem CID: 202717

Storage

Room temperature

Specifications

Condições de armazenamento de armazenamento

Room temperature

Nomes e identificadores

• Sorrisos canónicos: C1COCCN1CC(C2=CC=CC=C2)(C3=CC=CC=C3)O
• IUPAC Name: 2-morpholin-4-yl-1,1-diphenylethanol
• InChIKey: GJPBYSGBLBBADJ-UHFFFAOYSA-N
• INCHI: 1S/C18H21NO2/c20-18(16-7-3-1-4-8-16,17-9-5-2-6-10-17)15-19-11-13-21-14-12-19/h1-10,20H,11-15H2
• SMILES isoméricas: C1COCCN1CC(C2=CC=CC=C2)(C3=CC=CC=C3)O
• PubChem CID: 202717
• Peso molecular: 283.37

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Aralkylamines Morpholines Tertiary alcohols Trialkylamines 1,2-aminoalcohols Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - Aralkylamine - Morpholine - Oxazinane - Tertiary alcohol - Tertiary amine - 1,2-aminoalcohol - Tertiary aliphatic amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Aromatic alcohol - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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: 283.400 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 283.157 Da
• Monoisotopic Mass: 283.157 Da
• Topological Polar Surface Area: 32.700 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 284.000
• 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

Perguntas frequentes

How should this product be stored?

Store at room temperature.

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

The CAS Number is 13150-37-3, the molecular formula is C18H21NO2, and the molecular weight is 283.37 g/mol. InChIKey GJPBYSGBLBBADJ-UHFFFAOYSA-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.