GRADE & PURITY ≥98%

Synonyms

4-(3-Oxo-4-morpholinyl)nitrobenzene | A851969 | GE-0240 | 4-(4-NITROPHENYL)-3-MORPHOLINONE | AC-26442 | MFCD08236741 | 4-(4-nitrophenyl)-3-oxomorpholine | 4-(4-Nitrophenyl)-morpholin-3-ON | SCHEMBL78624 | 3-Morpholinone,4-(4-nitrophenyl)- | EC 610-199-1 |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

4-(3-Oxo-4-morpholinyl)nitrobenzene | A851969 | GE-0240 | 4-(4-NITROPHENYL)-3-MORPHOLINONE | AC-26442 | MFCD08236741 | 4-(4-nitrophenyl)-3-oxomorpholine | 4-(4-Nitrophenyl)-morpholin-3-ON | SCHEMBL78624 | 3-Morpholinone, 4-(4-nitrophenyl)- | EC 610-199-1 |

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504766436
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766436
• Canonical Smiles: C1COCC(=O)N1C2=CC=C(C=C2)[N+](=O)[O-]
• IUPAC Name: 4-(4-nitrophenyl)morpholin-3-one
• InChIKey: OWMGEFWSGOTGAU-UHFFFAOYSA-N
• INCHI: 1S/C10H10N2O4/c13-10-7-16-6-5-11(10)8-1-3-9(4-2-8)12(14)15/h1-4H,5-7H2
• Isomeric SMILES: C1COCC(=O)N1C2=CC=C(C=C2)[N+](=O)[O-]
• Molecular Weight: 222.19
• Reaxy-Rn: 9849095
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9849095&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmorpholines
• Alternative Parents: Nitrobenzenes Nitroaromatic compounds Tertiary carboxylic acid amides Lactams Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylmorpholine - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Lactam - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Dialkyl ether - Ether - Organic oxoazanium - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxide - Organic zwitterion - Aromatic heteromonocyclic compound
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 222.200 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 222.064 Da
• Monoisotopic Mass: 222.064 Da
• Topological Polar Surface Area: 75.400 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 281.000
• 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