3-Ethoxy-4-methoxyphenethylamine , CAS No.86456-97-5

CAS: 86456-97-5 Cat. No.: E1364356 分子式: C₁₁H₁₇NO₂ 分子量: 195.26 EC番号: 674-189-9 PubChem CID: 145108

Storage

Room temperature

Shipped In

Normal

Specifications

保管条件

Room temperature

入荷

Normal

名前と識別子

• カノニカル・スマイル: CCOC1=C(C=CC(=C1)CCN)OC
• IUPAC Name: 2-(3-ethoxy-4-methoxyphenyl)ethanamine
• InChIKey: NJVDYCNYTDOXPX-UHFFFAOYSA-N
• INCHI: 1S/C11H17NO2/c1-3-14-11-8-9(6-7-12)4-5-10(11)13-2/h4-5,8H,3,6-7,12H2,1-2H3
• 異性体SMILES: CCOC1=C(C=CC(=C1)CCN)OC
• PubChem CID: 145108
• 分子量: 195.26

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: 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
• 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

化学的性質と物理的性質

• 沸点（°C）: 119°/1mm
• 分子量: 195.260 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 195.126 Da
• Monoisotopic Mass: 195.126 Da
• Topological Polar Surface Area: 44.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 152.000
• 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

よくある質問

How should this product be stored?

Store at room temperature.

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 86456-97-5, the molecular formula is C11H17NO2, and the molecular weight is 195.26 g/mol. InChIKey NJVDYCNYTDOXPX-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.