3-Fluoro-4-morpholinoaniline - ≥98% , CAS No.93246-53-8

CAS: 93246-53-8 Cat. No.: F123083 Molecular Weight: 196.23 EC Number: 676-003-1

GRADE & PURITY ≥98%

Synonyms

4-(2-Fluoro-4-aminophenyl)morpholine | 3-Fluoro-4-(4-morpholinyl)-benzeamine | AKOS000103081 | 3-Fluoro-4-(4-morpholinyl) Benzenamine | n-(4-amino-2-fluorophenyl)morpholine | 3-fluoro-4-morpholin-4-yl aniline | STK346601 | 3-fluoro-4-morpholinoaniline | 3

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

4-(2-Fluoro-4-aminophenyl)morpholine | 3-Fluoro-4-(4-morpholinyl)-benzeamine | AKOS000103081 | 3-Fluoro-4-(4-morpholinyl) Benzenamine | n-(4-amino-2-fluorophenyl)morpholine | 3-fluoro-4-morpholin-4-yl aniline | STK346601 | 3-fluoro-4-morpholinoaniline | 3

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488191848
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191848
• Canonical Smiles: C1COCCN1C2=C(C=C(C=C2)N)F
• IUPAC Name: 3-fluoro-4-morpholin-4-ylaniline
• InChIKey: FQGIBHQUVCGEAC-UHFFFAOYSA-N
• INCHI: 1S/C10H13FN2O/c11-9-7-8(12)1-2-10(9)13-3-5-14-6-4-13/h1-2,7H,3-6,12H2
• Isomeric SMILES: C1COCCN1C2=C(C=C(C=C2)N)F
• Molecular Weight: 196.23
• Reaxy-Rn: 7479210
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7479210&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmorpholines
• Alternative Parents: Dialkylarylamines Aniline and substituted anilines Fluorobenzenes Aryl fluorides Oxacyclic compounds Dialkyl ethers Azacyclic compounds Primary amines Organopnictogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylmorpholine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Fluorobenzene - Halobenzene - Aryl halide - Monocyclic benzene moiety - Aryl fluoride - Benzenoid - Tertiary amine - Oxacycle - Azacycle - Dialkyl ether - Ether - Organofluoride - Organohalogen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Primary amine - Aromatic heteromonocyclic compound
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Melt Point(°C): 121.0-125.0°C
• Molecular Weight: 196.220 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 196.101 Da
• Monoisotopic Mass: 196.101 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