4-Benzylphenoxy-N-ethylmorpholine , CAS No.99762-52-4

CAS: 99762-52-4 Cat. No.: B668049 Summenformel: C₁₉H₂₃NO₂ Molekulargewicht: 297.4

Synonyms

4-Benzylphenoxy-N-ethylmorpholine | 4-[2-(4-benzylphenoxy)ethyl]morpholine | 4-Bpem | Morpholine, 4-(2-(4-(phenylmethyl)phenoxy)ethyl)- | DTXSID30244233 | BDBM50085294 | NCGC00245701-01 | 4-[2-(4-Benzyl-phenoxy)-ethyl]-morpholine

Storage

Room temperature

Specifications

Synonyme

4-Benzylphenoxy-N-ethylmorpholine | 4-[2-(4-benzylphenoxy)ethyl]morpholine | 4-Bpem | Morpholine, 4-(2-(4-(phenylmethyl)phenoxy)ethyl)- | DTXSID30244233 | BDBM50085294 | NCGC00245701-01 | 4-[2-(4-Benzyl-phenoxy)-ethyl]-morpholine

Storage

Room temperature

Produkteigenschaften

ALogP

3.5

Namen und Kennungen

Kanonisches Lächeln

C1COCCN1CCOC2=CC=C(C=C2)CC3=CC=CC=C3

IUPAC Name

4-[2-(4-benzylphenoxy)ethyl]morpholine

InChIKey

ZWLYTGBEZLXBKP-UHFFFAOYSA-N

INCHI

1S/C19H23NO2/c1-2-4-17(5-3-1)16-18-6-8-19(9-7-18)22-15-12-20-10-13-21-14-11-20/h1-9H,10-16H2

Isomere SMILES

C1COCCN1CCOC2=CC=C(C=C2)CC3=CC=CC=C3

Molekulargewicht

297.4

Reaxy-Rn

8564283

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8564283&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Phenoxy compounds Phenol ethers Alkyl aryl ethers Morpholines Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - Phenoxy compound - Phenol ether - Alkyl aryl ether - Morpholine - Oxazinane - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organopnictogen compound - Amine - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: 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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 297.400 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 297.173 Da
• Monoisotopic Mass: 297.173 Da
• Topological Polar Surface Area: 21.700 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 290.000
• 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

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

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

The CAS Number is 99762-52-4, the molecular formula is C19H23NO2, and the molecular weight is 297.4 g/mol. InChIKey ZWLYTGBEZLXBKP-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.