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

CAS: 54231-38-8 Cat. No.: B185106 Formule: C₉H₁₁BrN₂O Poids moléculaire: 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

Synonymes

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

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C,Protected from light

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

• Sourires canoniques: 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
• Isomères SMILES: C1COCCN1C2=C(C=CC=N2)Br
• Poids moléculaire: 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
    • Classe Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Light sensitive
• Poids moléculaire: 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