4-Morpholinophenol - Reagent Grade, ≥97% , CAS No.6291-23-2

CAS: 6291-23-2 Cat. No.: M479272 Summenformel: C₁₀H₁₃NO₂ Molekulargewicht: 179.22 EG-Nummer: 228-542-5

GRADE & PURITY Reagent Grade, ≥97%

Synonyms

4-morpholin-4-ylphenol | 4-Morpholinophenol | AMY32878 | MFCD00037122 | 4-(4-Morpholinyl)phenol | DTXSID50212095 | MAGNESIUMFORMATEDIHYDRATE | 4-p-Hydroxyphenylmorpholine | 3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid | EINECS 228-542-5 | L-Glu-L

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Specifications

Synonyme

4-morpholin-4-ylphenol | 4-Morpholinophenol | AMY32878 | MFCD00037122 | 4-(4-Morpholinyl)phenol | DTXSID50212095 | MAGNESIUMFORMATEDIHYDRATE | 4-p-Hydroxyphenylmorpholine | 3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid | EINECS 228-542-5 | L-Glu-L

Spezifikationen & Reinheit

Reagent Grade, ≥97%

Storage

Room temperature,Argon charged,Desiccated

Verschickt in

Normal

Note

Reagent Grade

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: C1COCCN1C2=CC=C(C=C2)O
• IUPAC Name: 4-morpholin-4-ylphenol
• InChIKey: GPPRMDWJKBFBMZ-UHFFFAOYSA-N
• INCHI: 1S/C10H13NO2/c12-10-3-1-9(2-4-10)11-5-7-13-8-6-11/h1-4,12H,5-8H2
• Isomere SMILES: C1COCCN1C2=CC=C(C=C2)O
• Molekulargewicht: 179.22
• Reaxy-Rn: 150963
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=150963&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: p-Aminophenols Dialkylarylamines Aniline and substituted anilines 1-hydroxy-2-unsubstituted benzenoids Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylmorpholine - Aminophenol - P-aminophenol - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 179.220 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 179.095 Da
• Monoisotopic Mass: 179.095 Da
• Topological Polar Surface Area: 32.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 149.000
• 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