4-(4-Nitrophenyl)morpholine - ≥98% , CAS No.10389-51-2

CAS: 10389-51-2 Cat. No.: N165583 Formula: C₁₀H₁₂N₂O₃ Molecular Weight: 208.219 EC Number: 233-851-3

GRADE & PURITY ≥98%

Synonyms

4-(p-Nitrophenyl)morpholine | BRN 0210854 | N-(4-Nitrophenyl)morpholine | SY005309 | Maybridge1_001242 | MLS002639157 | N1124 | SCHEMBL12247909 | 4-Morpholinonitrobenzene | HMS545A10 | 4-Nitrophenylmorpholine | IAJDSUYFELYZCS-UHFFFAOYSA- | MFCD00023317 |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

4-(p-Nitrophenyl)morpholine | BRN 0210854 | N-(4-Nitrophenyl)morpholine | SY005309 | Maybridge1_001242 | MLS002639157 | N1124 | SCHEMBL12247909 | 4-Morpholinonitrobenzene | HMS545A10 | 4-Nitrophenylmorpholine | IAJDSUYFELYZCS-UHFFFAOYSA- | MFCD00023317 |

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid

488182957

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182957

Canonical Smiles

C1COCCN1C2=CC=C(C=C2)[N+](=O)[O-]

IUPAC Name

4-(4-nitrophenyl)morpholine

InChIKey

IAJDSUYFELYZCS-UHFFFAOYSA-N

INCHI

1S/C10H12N2O3/c13-12(14)10-3-1-9(2-4-10)11-5-7-15-8-6-11/h1-4H,5-8H2

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)[N+](=O)[O-]

Molecular Weight

208.219

Reaxy-Rn

210854

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=210854&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 Dialkylarylamines Aniline and substituted anilines 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: Phenylmorpholine - Nitrobenzene - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Tertiary 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 - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Amine - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - 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

Associated Targets(Human)

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in Dimethylformamide
• Sensitivity: Air Sensitive
• Melt Point(°C): 153 °C
• Molecular Weight: 208.210 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 208.085 Da
• Monoisotopic Mass: 208.085 Da
• Topological Polar Surface Area: 58.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 215.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% 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 10389-51-2, the molecular formula is C10H12N2O3, and the molecular weight is 208.219 g/mol. InChIKey IAJDSUYFELYZCS-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.