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

CAS: 200064-13-7 Cat. No.: B182534 Summenformel: C₉H₁₁BrN₂O Molekulargewicht: 243.1 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488201350
• Kanonisches Lächeln: 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
• Isomere SMILES: C1COCCN1C2=CC(=CN=C2)Br
• Molekulargewicht: 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
    • Klasse Organonitrogen compounds
      • Subclass Amines
        • Ebene5 Tertiary amines
          • Ebene6 Tertiary alkylarylamines
            • Ebene7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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