2-Phenylmorpholine hydrochloride - ≥95% , CAS No.23972-42-1

CAS: 23972-42-1 Cat. No.: P588348 Summenformel: C₁₀H₁₄ClNO Molekulargewicht: 199.68 EG-Nummer: 812-203-9 PubChem CID: 12343539

GRADE & PURITY ≥95%

Synonyms

AR1100 | SR-01000473496-1 | SB36012 | F2189-0716 | AS-45024 | 2-PHENYL MORPHOLINE HCL | LJKUJBAIFSUTNM-UHFFFAOYSA-N | SCHEMBL1711121 | 2-phenylmorpholine;hydrochloride | SR-01000473496 | AKOS015995132 | DTXSID70492453 | 2-Phenylmorpholine hydrochloride |

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

AR1100 | SR-01000473496-1 | SB36012 | F2189-0716 | AS-45024 | 2-PHENYL MORPHOLINE HCL | LJKUJBAIFSUTNM-UHFFFAOYSA-N | SCHEMBL1711121 | 2-phenylmorpholine;hydrochloride | SR-01000473496 | AKOS015995132 | DTXSID70492453 | 2-Phenylmorpholine hydrochloride |

Spezifikationen & Reinheit

≥95%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: C1COC(CN1)C2=CC=CC=C2.Cl
• IUPAC Name: 2-phenylmorpholine;hydrochloride
• InChIKey: LJKUJBAIFSUTNM-UHFFFAOYSA-N
• INCHI: 1S/C10H13NO.ClH/c1-2-4-9(5-3-1)10-8-11-6-7-12-10;/h1-5,10-11H,6-8H2;1H
• Isomere SMILES: C1COC(CN1)C2=CC=CC=C2.Cl
• PubChem CID: 12343539
• Molekulargewicht: 199.68

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmorpholines
• Alternative Parents: Aralkylamines Benzene and substituted derivatives Oxacyclic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylmorpholine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Dialkyl ether - Secondary aliphatic amine - Ether - Secondary amine - Azacycle - Oxacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 199.680 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 199.076 Da
• Monoisotopic Mass: 199.076 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 132.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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