2-Methoxyphenethylamine - ≥98%(GC) , CAS No.2045-79-6

CAS: 2045-79-6 Cat. No.: M132548 Fórmula: C₉H₁₃NO Peso molecular: 151.21 Número EC: 218-066-6

GRADE & PURITY ≥98%(GC)

Synonyms

AKOS000200579 | DTXSID00174412 | Ethyl 2-((1H-benzo[d]imidazol-2-yl)thio)acetate | J-509871 | MFCD00136425 | 2-Methoxyphenethylamine | AM20030306 | 2-methoxyphenethyl amine | Benzeneethanamine, 2-methoxy- | 2- (2-methoxyphenyl)ethylamine | M0844 | UNII-A8

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

It is also referred to as o-methoxyphenethylamine. The distribution behavior of tyramine and MPEA in the [bmim][PF6]/water system (bmim = 1-butyl-3-methylimidazolium hexafluorophosphate) has been evaluated under different conditions.

Specifications

Sinónimos

AKOS000200579 | DTXSID00174412 | Ethyl 2-((1H-benzo[d]imidazol-2-yl)thio)acetate | J-509871 | MFCD00136425 | 2-Methoxyphenethylamine | AM20030306 | 2-methoxyphenethyl amine | Benzeneethanamine, 2-methoxy- | 2- (2-methoxyphenyl)ethylamine | M0844 | UNII-A8

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged,Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

Pubchem Sid

504754884

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754884

Sonrisas canónicas

COC1=CC=CC=C1CCN

IUPAC Name

2-(2-methoxyphenyl)ethanamine

InChIKey

WSWPCNMLEVZGSM-UHFFFAOYSA-N

INCHI

1S/C9H13NO/c1-11-9-5-3-2-4-8(9)6-7-10/h2-5H,6-7,10H2,1H3

Isómeros SMILES

COC1=CC=CC=C1CCN

WGK Alemania

3

Número ONU

3267

Grupo de embalaje

II

Peso molecular

151.21

Reaxy-Rn

775810

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=775810&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenethylamines
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles 2-arylethylamines Aralkylamines Alkyl aryl ethers Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenethylamine - Phenoxy compound - Anisole - 2-arylethylamine - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Ether - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Amine - Primary amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.
• 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)

HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)

Discover Target: HTR2A

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

HTR2C Tclin Serotonin 2c (5-HT2c) receptor (11471 Activities)

Discover Target: HTR2C

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

Objetivos asociados (no humanos)

Taar1 Trace amine-associated receptor 1 (899 Activities)

Discover Target: Taar1

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Air sensitive
• Índice de refracción: 1.54
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Punto de ebullición (°C): 236-237°C
• Peso molecular: 151.210 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 151.1 Da
• Monoisotopic Mass: 151.1 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 106.000
• 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

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.

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

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 2045-79-6, the molecular formula is C9H13NO, and the molecular weight is 151.21 g/mol. InChIKey WSWPCNMLEVZGSM-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.