4-Morpholinophenylglyoxal hydrate - ≥95% , CAS No.852633-82-0

CAS: 852633-82-0 Cat. No.: M195324 Summenformel: C₁₂H₁₅NO₄ Molekulargewicht: 237.25

GRADE & PURITY ≥95%

Synonyms

[4-(Morpholin-4-yl)phenyl](oxo)acetaldehyde--water (1/1) | MFCD08272330 | AKOS005765952 | 2-[4-(Morpholin-4-yl)phenyl]-2-oxoacetaldehydehydrate | SS-4080 | 1049760-05-5 | AM20050588 | 2-(4-Morpholinophenyl)-2-oxoacetaldehyde hydrate | AB44438 | DTXSID9058

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

[4-(Morpholin-4-yl)phenyl](oxo)acetaldehyde--water (1/1) | MFCD08272330 | AKOS005765952 | 2-[4-(Morpholin-4-yl)phenyl]-2-oxoacetaldehydehydrate | SS-4080 | 1049760-05-5 | AM20050588 | 2-(4-Morpholinophenyl)-2-oxoacetaldehyde hydrate | AB44438 | DTXSID9058

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: C1COCCN1C2=CC=C(C=C2)C(=O)C=O.O
• IUPAC Name: 2-(4-morpholin-4-ylphenyl)-2-oxoacetaldehyde;hydrate
• InChIKey: ZMIBVEQMLLIBKQ-UHFFFAOYSA-N
• INCHI: 1S/C12H13NO3.H2O/c14-9-12(15)10-1-3-11(4-2-10)13-5-7-16-8-6-13;/h1-4,9H,5-8H2;1H2
• Isomere SMILES: C1COCCN1C2=CC=C(C=C2)C(=O)C=O.O
• Molekulargewicht: 237.25
• Reaxy-Rn: 46765219
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=46765219&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: Phenylacetaldehydes Dialkylarylamines Benzoyl derivatives Aryl ketones Aniline and substituted anilines Alpha ketoaldehydes Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylmorpholine - Phenylacetaldehyde - Benzoyl - Tertiary aliphatic/aromatic amine - Aryl ketone - Dialkylarylamine - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Alpha-ketoaldehyde - Tertiary amine - Ketone - Oxacycle - Azacycle - Dialkyl ether - Ether - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Aldehyde - Amine - Hydrocarbon derivative - Organic oxide - 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: 237.250 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 237.1 Da
• Monoisotopic Mass: 237.1 Da
• Topological Polar Surface Area: 47.600 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 253.000
• 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: 2

XLogP3

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 852633-82-0, the molecular formula is C12H15NO4, and the molecular weight is 237.25 g/mol. InChIKey ZMIBVEQMLLIBKQ-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.