2-Morpholinoaniline - ≥97% , CAS No.5585-33-1

CAS: 5585-33-1 Cat. No.: M157863 Formule: C₁₀H₁₄N₂O Poids moléculaire: 178.24 Numéro CE: 627-396-3

GRADE & PURITY ≥97%

Synonyms

(2-morpholin-4-ylphenyl)amine | 11G-330S | A830840 | BB 0245672 | n-(2-aminophenyl)morpholine | QKWLVAYDAHQMLG-UHFFFAOYSA-N | DTXSID30352822 | MLS000556407 | Enamine_000782 | SY013914 | FT-0608680 | 2-Morpholin-4-yl-phenylamine | Oprea1_607645 | AKOS00010

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonymes

(2-morpholin-4-ylphenyl)amine | 11G-330S | A830840 | BB 0245672 | n-(2-aminophenyl)morpholine | QKWLVAYDAHQMLG-UHFFFAOYSA-N | DTXSID30352822 | MLS000556407 | Enamine_000782 | SY013914 | FT-0608680 | 2-Morpholin-4-yl-phenylamine | Oprea1_607645 | AKOS00010

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Pubchem Sid

488191300

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488191300

Sourires canoniques

C1COCCN1C2=CC=CC=C2N

IUPAC Name

2-morpholin-4-ylaniline

InChIKey

QKWLVAYDAHQMLG-UHFFFAOYSA-N

INCHI

1S/C10H14N2O/c11-9-3-1-2-4-10(9)12-5-7-13-8-6-12/h1-4H,5-8,11H2

Isomères SMILES

C1COCCN1C2=CC=CC=C2N

WGK Allemagne

2

Poids moléculaire

178.24

Reaxy-Rn

163926

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=163926&ln=

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: Dialkylarylamines Aniline and substituted anilines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylmorpholine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Primary amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - 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

Cibles associées (non humaines)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TGR Thioredoxin glutathione reductase (28579 Activities)

Discover Target: TGR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Air Sensitive
• Point d'ébullition (°C): 120 °C/0.6 mmHg
• Point de fusion (°C): 96 °C
• Poids moléculaire: 178.230 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 178.111 Da
• Monoisotopic Mass: 178.111 Da
• Topological Polar Surface Area: 38.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 157.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 5585-33-1, the molecular formula is C10H14N2O, and the molecular weight is 178.24 g/mol. InChIKey QKWLVAYDAHQMLG-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.