4-(4-Formylphenyl)morpholine - ≥97%(HPLC) , CAS No.1204-86-0

CAS: 1204-86-0 Cat. No.: F156780 Summenformel: C₁₁H₁₃NO₂ Molekulargewicht: 191.23 Beilstein Registry Number: 27(3/4)225 EG-Nummer: 895-182-9

GRADE & PURITY ≥97%(HPLC)

Synonyms

4-Morpholinobenzaldehyde | 4-(4-Morpholinyl)benzaldehyde | N-(4-Formylphenyl)morpholine

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

4-Morpholinobenzaldehyde | 4-(4-Morpholinyl)benzaldehyde | N-(4-Formylphenyl)morpholine

Spezifikationen & Reinheit

≥97%(HPLC)

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥97%(HPLC)

Namen und Kennungen

Pubchem Sid

488189315

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189315

Kanonisches Lächeln

C1COCCN1C2=CC=C(C=C2)C=O

IUPAC Name

4-morpholin-4-ylbenzaldehyde

InChIKey

FOAQOAXQMISINY-UHFFFAOYSA-N

INCHI

1S/C11H13NO2/c13-9-10-1-3-11(4-2-10)12-5-7-14-8-6-12/h1-4,9H,5-8H2

Isomere SMILES

C1COCCN1C2=CC=C(C=C2)C=O

WGK Deutschland

3

Molekulargewicht

191.23

Beilstein

27(3/4)225

Reaxy-Rn

164498

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=164498&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmorpholines
• Alternative Parents: Dialkylarylamines Benzoyl derivatives Benzaldehydes Aniline and substituted anilines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylmorpholine - Benzaldehyde - Benzoyl - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Aryl-aldehyde - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Amine - Aldehyde - Organopnictogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.
• 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Methanol
• Empfindlichkeit: air sensitive
• Schmelzpunkt (°C): 65-69°C
• Molekulargewicht: 191.230 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 191.095 Da
• Monoisotopic Mass: 191.095 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 182.000
• 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