4-Benzoylmorpholine - ≥98% , CAS No.1468-28-6

CAS: 1468-28-6 Cat. No.: B354133 분자식: C₁₁H₁₃NO₂ 분자량: 191.23 EC 번호: 604-539-8

GRADE & PURITY ≥98%

Synonyms

J8WEF5G9W6 | 4-27-00-00280 (Beilstein Handbook Reference) | F13677 | AI3-03344 | AKOS000265465 | MORPHOLINE, N-BENZOYL- | BRN 0148023 | BAA46828 | BENZOIC MORPHOLIDE | FLCWYEUDIOQXEB-UHFFFAOYSA-N | STK414043 | 4-morpholinylphenylMethanone | Maybridge1_007

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

동의어

J8WEF5G9W6 | 4-27-00-00280 (Beilstein Handbook Reference) | F13677 | AI3-03344 | AKOS000265465 | MORPHOLINE, N-BENZOYL- | BRN 0148023 | BAA46828 | BENZOIC MORPHOLIDE | FLCWYEUDIOQXEB-UHFFFAOYSA-N | STK414043 | 4-morpholinylphenylMethanone | Maybridge1_007

사양 및 순도

≥98%

보관 조건

Room temperature,Argon charged

배송

Normal

순수함

≥98%

이름과 식별자

• Pubchem Sid: 488182069
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182069
• 정식 스마일: C1COCCN1C(=O)C2=CC=CC=C2
• IUPAC Name: morpholin-4-yl(phenyl)methanone
• InChIKey: FLCWYEUDIOQXEB-UHFFFAOYSA-N
• INCHI: 1S/C11H13NO2/c13-11(10-4-2-1-3-5-10)12-6-8-14-9-7-12/h1-5H,6-9H2
• 이성체 SMILES: C1COCCN1C(=O)C2=CC=CC=C2
• 분자량: 191.23
• Reaxy-Rn: 148023
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=148023&ln=

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: Morpholine carboxylic acids and derivatives
• Alternative Parents: Benzamides Benzoyl derivatives Tertiary carboxylic acid amides Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzamide - Benzoic acid or derivatives - Morpholine-4-carboxylic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as morpholine carboxylic acids and derivatives. These are heterocyclic compounds containing a morpholine ring substituted by one or more carboxylic acid groups (or derivative thereof).
• 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

• 감도: Air sensitive
• 굴절률: n20D1.56 (Predicted)
• 끓는점(°C): ~339.1° C at 760 mmHg (Predicted)
• 녹는점(°C): 72-76°C
• 분자량: 191.230 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 191.095 Da
• Monoisotopic Mass: 191.095 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 193.000
• 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 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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 1468-28-6, the molecular formula is C11H13NO2, and the molecular weight is 191.23 g/mol. InChIKey FLCWYEUDIOQXEB-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.