4-Phenylmorpholine - ≥98% , CAS No.92-53-5

CAS: 92-53-5 Cat. No.: P118291 分子式: C₁₀H₁₃NO 分子量: 163.22 Beilstein Registry Number: 27,6 EC番号: 202-164-0

GRADE & PURITY ≥98%

Synonyms

NSC2628 | NSC-2628 | SY246296 | UNII-H4OC7FB1EX | AI3-01091 | NSC-239125 | W-100282 | SR-01000514391-1 | AKOS003398235 | MORPHOLINE,4-PHENYL | STK664287 | VS-12628 | NSC 2628 | AMY2650 | BRN 0132159 | (4-morpholinyl)benzene | FT-0619409 | H4OC7FB1EX | A84

Storage

Argon charged,Room temperature

Shipped In

Normal

概要

4-Phenylmorpholine undergoes oxidation to yield N-formyl-N-2-hydroxyethylaniline.

4-Phenylmorpholine was used as internal standard during the determination of alkaloids by gas chromatographic method.

Specifications

同義語

NSC2628 | NSC-2628 | SY246296 | UNII-H4OC7FB1EX | AI3-01091 | NSC-239125 | W-100282 | SR-01000514391-1 | AKOS003398235 | MORPHOLINE,4-PHENYL | STK664287 | VS-12628 | NSC 2628 | AMY2650 | BRN 0132159 | (4-morpholinyl)benzene | FT-0619409 | H4OC7FB1EX | A84

仕様と純度

≥98%

保管条件

Argon charged,Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

488183561

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488183561

カノニカル・スマイル

C1COCCN1C2=CC=CC=C2

IUPAC Name

4-phenylmorpholine

InChIKey

FHQRDEDZJIFJAL-UHFFFAOYSA-N

INCHI

1S/C10H13NO/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-5H,6-9H2

異性体SMILES

C1COCCN1C2=CC=CC=C2

WGKドイツ

2

RTECS

QE8575000

分子量

163.22

Beilstein

27,6

Reaxy-Rn

132159

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=132159&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmorpholines
• Alternative Parents: Dialkylarylamines Aniline and substituted anilines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylmorpholine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
• 説明: 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

関連ターゲット（人間）

HT-29 (80576 Activities)

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MCF7 (126967 Activities)

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作用メカニズム

化学的性質と物理的性質

• 感度: air sensitive
• 引火点（°F）: 235.4 °F
• 引火点（°C）: 113 °C
• 沸点（°C）: 270°C
• 融点（°C）: 54°C
• 分子量: 163.220 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 163.1 Da
• Monoisotopic Mass: 163.1 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 126.000
• 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