2-Bromo-1-(4-morpholinophenyl)ethanone - ≥97% , CAS No.210832-85-2

CAS: 210832-85-2 Cat. No.: B182735 분자식: C₁₂H₁₄BrNO₂ 분자량: 284.15 EC 번호: 640-703-5

GRADE & PURITY ≥97%

Synonyms

MFCD03783555 | OUGMZFJPRSTGMJ-UHFFFAOYSA-N | DTXSID30383631 | PD136224 | AMY24836 | BS-22062 | BDBM50347522 | W-206594 | 2-bromo-1-(4-morpholin-4-ylphenyl)ethanone | SCHEMBL541208 | 2-BROMO-1-(4-MORPHOLINOPHENYL)ETHANONE | 2-bromo-1-[4-(4-morpholinyl)phen

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

동의어

MFCD03783555 | OUGMZFJPRSTGMJ-UHFFFAOYSA-N | DTXSID30383631 | PD136224 | AMY24836 | BS-22062 | BDBM50347522 | W-206594 | 2-bromo-1-(4-morpholin-4-ylphenyl)ethanone | SCHEMBL541208 | 2-BROMO-1-(4-MORPHOLINOPHENYL)ETHANONE | 2-bromo-1-[4-(4-morpholinyl)phen

사양 및 순도

≥97%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥97%

이름과 식별자

• Pubchem Sid: 528757056
• 정식 스마일: C1COCCN1C2=CC=C(C=C2)C(=O)CBr
• IUPAC Name: 2-bromo-1-(4-morpholin-4-ylphenyl)ethanone
• InChIKey: OUGMZFJPRSTGMJ-UHFFFAOYSA-N
• INCHI: 1S/C12H14BrNO2/c13-9-12(15)10-1-3-11(4-2-10)14-5-7-16-8-6-14/h1-4H,5-9H2
• 이성체 SMILES: C1COCCN1C2=CC=C(C=C2)C(=O)CBr
• 분자량: 284.15
• Reaxy-Rn: 797423
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=797423&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Phenylmorpholines Dialkylarylamines Benzoyl derivatives Aryl alkyl ketones Aniline and substituted anilines Alpha-haloketones Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl-phenylketone - Phenylmorpholine - Benzoyl - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Aryl alkyl ketone - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Alpha-haloketone - Tertiary amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organobromide - Organohalogen compound - Organic oxide - Alkyl halide - Alkyl bromide - Organopnictogen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• 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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 284.150 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 283.021 Da
• Monoisotopic Mass: 283.021 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 233.000
• 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