4-Phenyl-3-morpholinone - ≥95% , CAS No.29518-11-4

CAS: 29518-11-4 Cat. No.: P192582 분자식: C₁₀H₁₁NO₂ 분자량: 177.2 PubChem CID: 5153080

GRADE & PURITY ≥95%

Synonyms

A5500 | 4-phenyl morpholine-3-one | 3-Morpholinone, 4-phenyl | 3-Morpholinone, 4-phenyl- | 3-Morpholinone,4-phenyl- | SCHEMBL198132 | STL417054 | 4-phenylmorpholin-3-one | EC 608-371-6 | AC-26443 | phenylmorpholin-3-one | SY108001 | AKOS000416826 | 4-phen

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

동의어

A5500 | 4-phenyl morpholine-3-one | 3-Morpholinone, 4-phenyl | 3-Morpholinone, 4-phenyl- | 3-Morpholinone,4-phenyl- | SCHEMBL198132 | STL417054 | 4-phenylmorpholin-3-one | EC 608-371-6 | AC-26443 | phenylmorpholin-3-one | SY108001 | AKOS000416826 | 4-phen

사양 및 순도

≥95%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥95%

이름과 식별자

• Pubchem Sid: 504763243
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763243
• 정식 스마일: C1COCC(=O)N1C2=CC=CC=C2
• IUPAC Name: 4-phenylmorpholin-3-one
• InChIKey: SIWXCJHUZAEIAE-UHFFFAOYSA-N
• INCHI: 1S/C10H11NO2/c12-10-8-13-7-6-11(10)9-4-2-1-3-5-9/h1-5H,6-8H2
• 이성체 SMILES: C1COCC(=O)N1C2=CC=CC=C2
• PubChem CID: 5153080
• 분자량: 177.2

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmorpholines
• Alternative Parents: Benzene and substituted derivatives Tertiary carboxylic acid amides Lactams Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylmorpholine - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organonitrogen compound - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
• 설명: 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

화학 및 물리적 특성

• 분자량: 177.200 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 177.079 Da
• Monoisotopic Mass: 177.079 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 187.000
• 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

자주 묻는 질문

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 29518-11-4, the molecular formula is C10H11NO2, and the molecular weight is 177.2 g/mol. InChIKey SIWXCJHUZAEIAE-UHFFFAOYSA-N.

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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.