5-Phenylmorpholin-3-one - ≥97% , CAS No.1260672-03-4

CAS: 1260672-03-4 Cat. No.: P190365 Summenformel: C₁₀H₁₁NO₂ Molekulargewicht: 177.20

GRADE & PURITY ≥97%

Synonyms

EN300-139601 | DS-17534 | SY030001 | SY206715 | 1260672-03-4 | F2189-1010 | 3-Morpholinone, 5-phenyl- | SB45957 | SY207241 | AB72681 | MFCD18250283 | SCHEMBL1335050 | AKOS016003063 | DTXSID80630243 | AC-29462 | SB45126 | Z1255426729 | 5-Phenylmorpholin-3-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

EN300-139601 | DS-17534 | SY030001 | SY206715 | 1260672-03-4 | F2189-1010 | 3-Morpholinone, 5-phenyl- | SB45957 | SY207241 | AB72681 | MFCD18250283 | SCHEMBL1335050 | AKOS016003063 | DTXSID80630243 | AC-29462 | SB45126 | Z1255426729 | 5-Phenylmorpholin-3-

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Kanonisches Lächeln

C1C(NC(=O)CO1)C2=CC=CC=C2

IUPAC Name

5-phenylmorpholin-3-one

InChIKey

GXDVCRCMLDJGAS-UHFFFAOYSA-N

INCHI

1S/C10H11NO2/c12-10-7-13-6-9(11-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)

Isomere SMILES

C1C(NC(=O)CO1)C2=CC=CC=C2

Molekulargewicht

177.20

Reaxy-Rn

23346000

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23346000&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: Benzene and substituted derivatives Secondary carboxylic acid amides Lactams Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylmorpholine - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organic oxide - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen 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

• Empfindlichkeit: Moisture sensitive
• Molekulargewicht: 177.200 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 177.079 Da
• Monoisotopic Mass: 177.079 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 187.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1