4,4'-[(4-Chlorophenyl)methylene]dimorpholine , CAS No.16361-37-8

CAS: 16361-37-8 Cat. No.: C1331622 PubChem CID: 710520

Storage

Room temperature

Shipped In

Normal

Specifications

Storage

Room temperature

Verschickt in

Normal

Namen und Kennungen

Kanonisches Lächeln

C1COCCN1C(C2=CC=C(C=C2)Cl)N3CCOCC3

IUPAC Name

4-[(4-chlorophenyl)-morpholin-4-ylmethyl]morpholine

InChIKey

DAAKLUBLMJLRRF-UHFFFAOYSA-N

INCHI

1S/C15H21ClN2O2/c16-14-3-1-13(2-4-14)15(17-5-9-19-10-6-17)18-7-11-20-12-8-18/h1-4,15H,5-12H2

Isomere SMILES

C1COCCN1C(C2=CC=C(C=C2)Cl)N3CCOCC3

PubChem CID

710520

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Morpholines Aryl chlorides Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Chlorobenzene - Aryl chloride - Aryl halide - Morpholine - Oxazinane - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Azacycle - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• 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: 296.790 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 296.129 Da
• Monoisotopic Mass: 296.129 Da
• Topological Polar Surface Area: 24.900 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 268.000
• 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