2-(4-Morpholinylmethyl)phenol - Reagent grade , CAS No.4438-01-1

CAS: 4438-01-1 Cat. No.: M479087 Fórmula: C₁₁H₁₅NO₂ Peso molecular: 193.24 Número EC: 108-337-6

GRADE & PURITY Reagent Grade

Synonyms

BS-38000 | SCHEMBL4327006 | STK105121 | Oprea1_480881 | AKOS006230497 | 2-(morpholin-4-ylmethyl)phenol | 2-(morpholin-4-yl-methyl)-phenol | 2-(Morpholinomethyl)phenol | DTXSID30279969 | EN300-2756274 | 2-[(morpholin-4-yl)methyl]phenol | AH-283/31127039 |

Storage

Room temperature

Specifications

Sinónimos

BS-38000 | SCHEMBL4327006 | STK105121 | Oprea1_480881 | AKOS006230497 | 2-(morpholin-4-ylmethyl)phenol | 2-(morpholin-4-yl-methyl)-phenol | 2-(Morpholinomethyl)phenol | DTXSID30279969 | EN300-2756274 | 2-[(morpholin-4-yl)methyl]phenol | AH-283/31127039 |

Especificaciones y pureza

Reagent grade

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Reagent Grade

Nombres e identificadores

• Sonrisas canónicas: C1COCCN1CC2=CC=CC=C2O
• IUPAC Name: 2-(morpholin-4-ylmethyl)phenol
• InChIKey: OYLIEVIKIUHKTG-UHFFFAOYSA-N
• INCHI: 1S/C11H15NO2/c13-11-4-2-1-3-10(11)9-12-5-7-14-8-6-12/h1-4,13H,5-9H2
• Isómeros SMILES: C1COCCN1CC2=CC=CC=C2O
• Peso molecular: 193.24
• Reaxy-Rn: 146878
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=146878&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Aralkylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Morpholines Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzylamine - Phenylmethylamine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Morpholine - Oxazinane - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Ether - Dialkyl ether - Organoheterocyclic compound - Azacycle - Amine - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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

Objetivos asociados (humanos)

MES-SA (905 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Punto de inflamación (°F): Not applicable
• Punto de inflamación (°C): Not applicable
• Peso molecular: 193.240 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 193.11 Da
• Monoisotopic Mass: 193.11 Da
• Topological Polar Surface Area: 32.700 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 169.000
• 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

Preguntas frecuentes

What does Reagent Grade mean?

Reagent Grade is a defined analytical purity tier suitable for general analytical and reagent applications. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. Reagent Grade is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 4438-01-1, the molecular formula is C11H15NO2, and the molecular weight is 193.24 g/mol. InChIKey OYLIEVIKIUHKTG-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.