4-(4-Methoxy-3-nitrophenyl)morpholine - ≥97% , CAS No.383870-96-0

CAS: 383870-96-0 Cat. No.: M769640 PubChem CID: 17747010

GRADE & PURITY ≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: COC1=C(C=C(C=C1)N2CCOCC2)[N+](=O)[O-]
• IUPAC Name: 4-(4-methoxy-3-nitrophenyl)morpholine
• InChIKey: RUASRJAQVAMJLA-UHFFFAOYSA-N
• INCHI: 1S/C11H14N2O4/c1-16-11-3-2-9(8-10(11)13(14)15)12-4-6-17-7-5-12/h2-3,8H,4-7H2,1H3
• Isómeros SMILES: COC1=C(C=C(C=C1)N2CCOCC2)[N+](=O)[O-]
• PubChem CID: 17747010

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmorpholines
• Alternative Parents: Nitrophenyl ethers Aminophenyl ethers Methoxyanilines Phenoxy compounds Anisoles Dialkylarylamines Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Organic oxides Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylmorpholine - Nitrophenyl ether - Methoxyaniline - Aminophenyl ether - Nitrobenzene - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Nitroaromatic compound - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Organic nitro compound - C-nitro compound - Tertiary amine - Dialkyl ether - Ether - Oxacycle - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic salt - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic cation - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 238.240 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 238.095 Da
• Monoisotopic Mass: 238.095 Da
• Topological Polar Surface Area: 67.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 263.000
• 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