3-Bromo-5-morpholinopyridine - ≥98% , CAS No.200064-13-7

CAS: 200064-13-7 Cat. No.: B182534 Formule: C₉H₁₁BrN₂O Poids moléculaire: 243.1 Numéro CE: 960-915-4

GRADE & PURITY ≥98%

Synonyms

AKOS015834959 | 4-(5-bromo-3-pyridyl)morpholine | AC-23489 | AMY41816 | DTXSID70675209 | SY013183 | Morpholine, 4-(5-bromo-3-pyridinyl)- | 4-(5-bromo-pyridin-3-yl)-morpholine | 4-(5-Bromopyridin-3-yl)morpholine | MFCD11656285 | A879889 | 3-Bromo-5-morphol

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

AKOS015834959 | 4-(5-bromo-3-pyridyl)morpholine | AC-23489 | AMY41816 | DTXSID70675209 | SY013183 | Morpholine, 4-(5-bromo-3-pyridinyl)- | 4-(5-bromo-pyridin-3-yl)-morpholine | 4-(5-Bromopyridin-3-yl)morpholine | MFCD11656285 | A879889 | 3-Bromo-5-morphol

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 488201350
• Sourires canoniques: C1COCCN1C2=CC(=CN=C2)Br
• IUPAC Name: 4-(5-bromopyridin-3-yl)morpholine
• InChIKey: COIOXTGXIQKWBH-UHFFFAOYSA-N
• INCHI: 1S/C9H11BrN2O/c10-8-5-9(7-11-6-8)12-1-3-13-4-2-12/h5-7H,1-4H2
• Isomères SMILES: C1COCCN1C2=CC(=CN=C2)Br
• Poids moléculaire: 243.1
• Reaxy-Rn: 7872022
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7872022&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 Aryl bromides Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dialkylarylamine - Aminopyridine - Aryl bromide - Aryl halide - Morpholine - Oxazinane - Pyridine - Heteroaromatic compound - Oxacycle - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organobromide - Organooxygen 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

• Poids moléculaire: 243.100 g/mol
• XLogP3: 1.300
• 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