2-morpholinobenzaldehyde - ≥97% , CAS No.58028-76-5

CAS: 58028-76-5 Cat. No.: M479208 Summenformel: C₁₁H₁₃NO₂ Molekulargewicht: 191.23 EG-Nummer: 994-528-7

GRADE & PURITY ≥97%

Synonyms

FT-0613103 | EN300-29917 | 2-Morpholinobenzaldehyde | Benzaldehyde, 2-(4-morpholinyl)- | MFCD00662562 | DTXSID00371767 | AM20061132 | SCHEMBL136563 | AC-2643 | Morpholinobenzaldehyde | 2-(4-Morpholino)Benzaldehyde | 2-morpholinobenzenecarbaldehyde | AA-07

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

FT-0613103 | EN300-29917 | 2-Morpholinobenzaldehyde | Benzaldehyde, 2-(4-morpholinyl)- | MFCD00662562 | DTXSID00371767 | AM20061132 | SCHEMBL136563 | AC-2643 | Morpholinobenzaldehyde | 2-(4-Morpholino)Benzaldehyde | 2-morpholinobenzenecarbaldehyde | AA-07

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: C1COCCN1C2=CC=CC=C2C=O
• IUPAC Name: 2-morpholin-4-ylbenzaldehyde
• InChIKey: GTTAEWVBVHSDLX-UHFFFAOYSA-N
• INCHI: 1S/C11H13NO2/c13-9-10-3-1-2-4-11(10)12-5-7-14-8-6-12/h1-4,9H,5-8H2
• Isomere SMILES: C1COCCN1C2=CC=CC=C2C=O
• Molekulargewicht: 191.23
• Reaxy-Rn: 1107426
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1107426&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 Vinylogous amides 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 - Vinylogous amide - 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 191.230 g/mol
• XLogP3: 1.100
• 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: 190.000
• 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