3-Bromo-4-(morpholin-4-yl)aniline - ≥96% , CAS No.347324-26-9

CAS: 347324-26-9 Cat. No.: B183897 Peso molecular: 257.1

GRADE & PURITY ≥96%

Synonyms

3-Bromo-4-morpholinoaniline|347324-26-9|3-bromo-4-(morpholin-4-yl)aniline|3-bromo-4-morpholin-4-ylaniline|(3-BROMO-4-MORPHOLIN-4-YLPHENYL)AMINE|3-bromo-4-morpholin-4-ylphenylamine|Bionet2_000680|Cambridge id 6749751|SCHEMBL2744374|DTXSID80350171|IWWZCFFYG

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

3-Bromo-4-morpholinoaniline | 347324-26-9 | 3-bromo-4-(morpholin-4-yl)aniline | 3-bromo-4-morpholin-4-ylaniline | (3-BROMO-4-MORPHOLIN-4-YLPHENYL)AMINE | 3-bromo-4-morpholin-4-ylphenylamine | Bionet2_000680 | Cambridge id 6749751 | SCHEMBL2744374 | DTXSID80350171 | IWWZCFFYG

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥96%

Nombres e identificadores

• Sonrisas canónicas: C1COCCN1C2=C(C=C(C=C2)N)Br
• IUPAC Name: 3-bromo-4-morpholin-4-ylaniline
• InChIKey: IWWZCFFYGZRVHR-UHFFFAOYSA-N
• INCHI: 1S/C10H13BrN2O/c11-9-7-8(12)1-2-10(9)13-3-5-14-6-4-13/h1-2,7H,3-6,12H2
• Isómeros SMILES: C1COCCN1C2=C(C=C(C=C2)N)Br
• Peso molecular: 257.1
• Reaxy-Rn: 22233086
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22233086&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmorpholines
• Alternative Parents: Dialkylarylamines 2-bromoanilines Bromobenzenes Aryl bromides Oxacyclic compounds Dialkyl ethers Azacyclic compounds Primary amines Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylmorpholine - Tertiary aliphatic/aromatic amine - 2-bromoaniline - Dialkylarylamine - Aniline or substituted anilines - Bromobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Benzenoid - Tertiary amine - Ether - Dialkyl ether - Azacycle - Oxacycle - Primary amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - Amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.
• 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

Propiedades químicas y físicas

• Peso molecular: 257.130 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 256.021 Da
• Monoisotopic Mass: 256.021 Da
• Topological Polar Surface Area: 38.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 185.000
• 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