2-(3,4-Difluorophenyl)morpholine hydrochloride - ≥95% , CAS No.1251033-05-2

CAS: 1251033-05-2 Cat. No.: D190301 Formule: C₁₀H₁₂ClF₂NO Poids moléculaire: 235.66 PubChem CID: 71464194

GRADE & PURITY ≥95%

Synonyms

2-(3,4-DIFLUOROPHENYL)MORPHOLINE HCL | MFCD09832019 | 2-(3,4-Difluorophenyl)morpholine hydrochloride | 2-(3,4-Difluorophenyl)morpholine--hydrogen chloride (1/1) | AKOS016013136 | 2-(3,4-Difluorophenyl)morpholinehydrochloride | DS-5803 | A890280 | 2-(3,4-d

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

2-(3,4-DIFLUOROPHENYL)MORPHOLINE HCL | MFCD09832019 | 2-(3,4-Difluorophenyl)morpholine hydrochloride | 2-(3,4-Difluorophenyl)morpholine--hydrogen chloride (1/1) | AKOS016013136 | 2-(3,4-Difluorophenyl)morpholinehydrochloride | DS-5803 | A890280 | 2-(3,4-d

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

Sourires canoniques

C1COC(CN1)C2=CC(=C(C=C2)F)F.Cl

IUPAC Name

2-(3,4-difluorophenyl)morpholine;hydrochloride

InChIKey

YWXJCTHXHJCZPY-UHFFFAOYSA-N

INCHI

1S/C10H11F2NO.ClH/c11-8-2-1-7(5-9(8)12)10-6-13-3-4-14-10;/h1-2,5,10,13H,3-4,6H2;1H

Isomères SMILES

C1COC(CN1)C2=CC(=C(C=C2)F)F.Cl

PubChem CID

71464194

Poids moléculaire

235.66

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmorpholines
• Alternative Parents: Fluorobenzenes Aralkylamines Aryl fluorides Oxacyclic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Organofluorides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylmorpholine - Aralkylamine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Oxacycle - Azacycle - Dialkyl ether - Secondary amine - Secondary aliphatic amine - Ether - Amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrochloride - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - 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

Propriétés chimiques et physiques

• Poids moléculaire: 235.660 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 235.058 Da
• Monoisotopic Mass: 235.058 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 191.000
• 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

XLogP3

Foire aux questions

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1251033-05-2, the molecular formula is C10H12ClF2NO, and the molecular weight is 235.66 g/mol. InChIKey YWXJCTHXHJCZPY-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.