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

CAS: 55755-17-4 Cat. No.: M170979 分子式: C₉H₁₃N 分子量: 135.21 EC番号: 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

同義語

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-

仕様と純度

≥97%

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%

名前と識別子

• パブケム・シド: 488189688
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488189688
• カノニカル・スマイル: 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
• 異性体SMILES: CC1=CC(=CC=C1)CCN
• WGKドイツ: 3
• 分子量: 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
    • 分類 Benzene and substituted derivatives
      • Subclass Phenethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

関連ターゲット（非人間）

Pseudomonas aeruginosa (123386 Activities)

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Acinetobacter baumannii (41033 Activities)

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作用メカニズム

化学的性質と物理的性質

• 引火点（°F）: 179.6 °F
• 引火点（°C）: 82 °C
• 分子量: 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