3-Bromo-2-morpholinopyridine - ≥97% , CAS No.54231-38-8

CAS: 54231-38-8 Cat. No.: B185106 분자식: C₉H₁₁BrN₂O 분자량: 243.1

GRADE & PURITY ≥97%

Synonyms

AB06360 | A870515 | SCHEMBL1432779 | 3-bromo-2-(4-morpholino)pyridine, AldrichCPR | 4-(3-bromopyridin-2-yl)morpholine | AM87051 | BS-28625 | AKOS010632418 | J-511826 | MFCD00498942 | 3-Bromo-2-morpholinopyridine | 3-Bromo-2-(4-morpholino)pyridine | DTXSID

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

동의어

AB06360 | A870515 | SCHEMBL1432779 | 3-bromo-2-(4-morpholino)pyridine, AldrichCPR | 4-(3-bromopyridin-2-yl)morpholine | AM87051 | BS-28625 | AKOS010632418 | J-511826 | MFCD00498942 | 3-Bromo-2-morpholinopyridine | 3-Bromo-2-(4-morpholino)pyridine | DTXSID

사양 및 순도

≥97%

보관 조건

Store at 2-8°C,Protected from light

배송

Wet ice

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순수함

≥97%

이름과 식별자

• 정식 스마일: C1COCCN1C2=C(C=CC=N2)Br
• IUPAC Name: 4-(3-bromopyridin-2-yl)morpholine
• InChIKey: KNRTVUQBSODXMC-UHFFFAOYSA-N
• INCHI: 1S/C9H11BrN2O/c10-8-2-1-3-11-9(8)12-4-6-13-7-5-12/h1-3H,4-7H2
• 이성체 SMILES: C1COCCN1C2=C(C=CC=N2)Br
• 분자량: 243.1
• Reaxy-Rn: 1111674
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1111674&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 분류 Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 분류: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: Aminopyridines and derivatives Morpholines Imidolactams Aryl bromides Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dialkylarylamine - Aminopyridine - Aryl bromide - Aryl halide - Morpholine - Oxazinane - Pyridine - Imidolactam - Heteroaromatic compound - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Organohalogen compound - Organobromide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic 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

화학 및 물리적 특성

• 감도: Light sensitive
• 분자량: 243.100 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 242.005 Da
• Monoisotopic Mass: 242.005 Da
• Topological Polar Surface Area: 25.400 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 162.000
• 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