4-(2-(4-Nitrophenoxy)ethyl)morpholine - ≥97% , CAS No.65300-53-0

CAS: 65300-53-0 Cat. No.: N185829 Molecular Weight: 252.3

GRADE & PURITY ≥97%

Synonyms

5W-0610 | CBMicro_021682 | AKOS005070744 | Cambridge id 5477998 | AC-9357 | BIM-0021536.P001 | FT-0680479 | Oprea1_297812 | Oprea1_317638 | MFCD00434241 | DTXSID30355434 | 4-[2-(4-nitrophenoxy)ethyl]morpholine | 4-[2-(4-nitro-phenoxy)-ethyl]-morpholine |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

5W-0610 | CBMicro_021682 | AKOS005070744 | Cambridge id 5477998 | AC-9357 | BIM-0021536.P001 | FT-0680479 | Oprea1_297812 | Oprea1_317638 | MFCD00434241 | DTXSID30355434 | 4-[2-(4-nitrophenoxy)ethyl]morpholine | 4-[2-(4-nitro-phenoxy)-ethyl]-morpholine |

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488191491
• Canonical Smiles: C1COCCN1CCOC2=CC=C(C=C2)[N+](=O)[O-]
• IUPAC Name: 4-[2-(4-nitrophenoxy)ethyl]morpholine
• InChIKey: BERKHGFFGHNCSO-UHFFFAOYSA-N
• INCHI: 1S/C12H16N2O4/c15-14(16)11-1-3-12(4-2-11)18-10-7-13-5-8-17-9-6-13/h1-4H,5-10H2
• Isomeric SMILES: C1COCCN1CCOC2=CC=C(C=C2)[N+](=O)[O-]
• Molecular Weight: 252.3
• Reaxy-Rn: 211666
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=211666&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrophenyl ethers
• Alternative Parents: Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Morpholines Trialkylamines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitrophenyl ether - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Morpholine - Oxazinane - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - Dialkyl ether - Ether - Organic oxoazanium - Oxacycle - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring.
• 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

• Melt Point(°C): 79-80°C
• Molecular Weight: 252.270 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 252.111 Da
• Monoisotopic Mass: 252.111 Da
• Topological Polar Surface Area: 67.500 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 255.000
• 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