3-Methylphenethylamine - ≥97% , CAS No.55755-17-4

CAS: 55755-17-4 Cat. No.: M170979 Fórmula: C₉H₁₃N Peso molecular: 135.21 Número EC: 663-484-8

GRADE & PURITY ≥97%

Synonyms

BDBM50262758 | .ALPHA.-D-GLUCOPYRANOSYL PENTAACETATE | 3-Methylbenzeneethanamine | 3-Methyl-benzeneethanamine | 3-Methylphenethylamine | 2-(3-methylphenyl)ethan-1-amine | 2-m-tolyl-ethylamine | 3,4-methyl-phenethylamine | Benzeneethanamine, 3-methyl- | 2-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

BDBM50262758 | .ALPHA.-D-GLUCOPYRANOSYL PENTAACETATE | 3-Methylbenzeneethanamine | 3-Methyl-benzeneethanamine | 3-Methylphenethylamine | 2-(3-methylphenyl)ethan-1-amine | 2-m-tolyl-ethylamine | 3,4-methyl-phenethylamine | Benzeneethanamine, 3-methyl- | 2-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

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

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488189688
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189688
• Sonrisas canónicas: CC1=CC(=CC=C1)CCN
• IUPAC Name: 2-(3-methylphenyl)ethanamine
• InChIKey: GUERDLPJJJMIEU-UHFFFAOYSA-N
• INCHI: 1S/C9H13N/c1-8-3-2-4-9(7-8)5-6-10/h2-4,7H,5-6,10H2,1H3
• Isómeros SMILES: CC1=CC(=CC=C1)CCN
• WGK Alemania: 3
• Peso molecular: 135.21
• Reaxy-Rn: 3125427
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3125427&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: 2-arylethylamines Toluenes Aralkylamines Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenethylamine - 2-arylethylamine - Aralkylamine - Toluene - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - 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 (no humanos)

Pseudomonas aeruginosa (123386 Activities)

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

Acinetobacter baumannii (41033 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

• Punto de inflamación (°F): 179.6 °F
• Punto de inflamación (°C): 82 °C
• Peso molecular: 135.210 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 135.105 Da
• Monoisotopic Mass: 135.105 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 90.700
• 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