N-(p-Hydroxyphenethyl)-N-(3-hydroxy-4-methoxy)benzylamine - ≥95% , CAS No.4579-60-6

CAS: 4579-60-6 Cat. No.: N345029 Peso molecular: 273.33

GRADE & PURITY ≥95%

Synonyms

SDLILULALIDNSO-UHFFFAOYSA-N | Probes1_000056 | F87974 | 4'-O-Methylnorbelladine | 5-[[2-(4-hydroxyphenyl)ethylamino]methyl]-2-methoxyphenol | CHEBI:80667 | N-(p-Hydroxyphenethyl)-N-(3-hydroxy-4-methoxy)benzylamine | Probes2_000396 | 5-(((4-Hydroxyphenethy

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

SDLILULALIDNSO-UHFFFAOYSA-N | Probes1_000056 | F87974 | 4'-O-Methylnorbelladine | 5-[[2-(4-hydroxyphenyl)ethylamino]methyl]-2-methoxyphenol | CHEBI:80667 | N-(p-Hydroxyphenethyl)-N-(3-hydroxy-4-methoxy)benzylamine | Probes2_000396 | 5-(((4-Hydroxyphenethy

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504758142
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758142
• Sonrisas canónicas: COC1=C(C=C(C=C1)CNCCC2=CC=C(C=C2)O)O
• IUPAC Name: 5-[[2-(4-hydroxyphenyl)ethylamino]methyl]-2-methoxyphenol
• InChIKey: SDLILULALIDNSO-UHFFFAOYSA-N
• INCHI: 1S/C16H19NO3/c1-20-16-7-4-13(10-15(16)19)11-17-9-8-12-2-5-14(18)6-3-12/h2-7,10,17-19H,8-9,11H2,1H3
• Isómeros SMILES: COC1=C(C=C(C=C1)CNCCC2=CC=C(C=C2)O)O
• Peso molecular: 273.33
• Reaxy-Rn: 2812972
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2812972&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Clase Amaryllidaceae alkaloids
      • Subclass Norbelladine-type amaryllidaceae alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Clase: Amaryllidaceae alkaloids
• Subclass: Norbelladine-type amaryllidaceae alkaloids
• Intermediate Tree Nodes: Not available
• Direct Parent: Norbelladine-type amaryllidaceae alkaloids
• Alternative Parents: Methoxyphenols Phenethylamines Phenylmethylamines Phenoxy compounds Methoxybenzenes Benzylamines Anisoles Aralkylamines Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Dialkylamines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Norbelladine skeleton - Methoxyphenol - Phenethylamine - Anisole - Phenoxy compound - Benzylamine - Phenol ether - Phenylmethylamine - Methoxybenzene - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Ether - Secondary aliphatic amine - Secondary amine - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as norbelladine-type amaryllidaceae alkaloids. These are amaryllidaceae alkaloids compounds containing the norbelladine skeleton. They are derived initially from the condensation of tyramine and protocatechuic aldehyde or its derivatives in plants.
• External Descriptors: alkaloid

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 (no humanos)

Leishmania donovani (89745 Activities)

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

Trypanosoma cruzi (99888 Activities)

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in Dimethyl Sulfoxide
• Punto de fusión (°C): 183-1850°C (lit.)
• Peso molecular: 273.330 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 273.136 Da
• Monoisotopic Mass: 273.136 Da
• Topological Polar Surface Area: 61.700 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 266.000
• 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