1-(4-Éthylphényl)éthanamine , CAS No.147116-33-4

CAS: 147116-33-4 Cat. No.: E167370 Formule: C₁₀H₁₅N Poids moléculaire: 149.23 Numéro CE: 820-918-2

Synonyms

A815251 | FT-0655449 | STK317417 | J-503293 | AKOS016040540 | Benzenemethanamine, 4-ethyl-alpha-methyl-, (alphaR)- | FT-0653582 | 1-(4-ethylphenyl)ethan-1-amine | BBL037374 | FT-0719099 | Z56347251 | [1-(4-ethylphenyl)ethyl]amine | Benzenemethanamine, 4-e

Storage

Température ambiante

Shipped In

Normal

Specifications

Synonymes

A815251 | FT-0655449 | STK317417 | J-503293 | AKOS016040540 | Benzenemethanamine, 4-ethyl-alpha-methyl-, (alphaR)- | FT-0653582 | 1-(4-ethylphenyl)ethan-1-amine | BBL037374 | FT-0719099 | Z56347251 | [1-(4-ethylphenyl)ethyl]amine | Benzenemethanamine, 4-e

Conditions de stockage de stockage

Température ambiante

Expédié en

Normal

Noms et identifiants

• Sourires canoniques: CCC1=CC=C(C=C1)C(C)N
• IUPAC Name: 1-(4-ethylphenyl)ethanamine
• InChIKey: AMXXYSXDJUIPMZ-UHFFFAOYSA-N
• INCHI: 1S/C10H15N/c1-3-9-4-6-10(7-5-9)8(2)11/h4-8H,3,11H2,1-2H3
• Isomères SMILES: CCC1=CC=C(C=C1)C(C)N
• Poids moléculaire: 149.23
• Reaxy-Rn: 2412338
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2412338&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Amines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aralkylamines
• Alternative Parents: Benzene and substituted derivatives Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aralkylamine - Benzenoid - Monocyclic benzene moiety - Hydrocarbon derivative - Primary amine - Primary aliphatic amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 149.230 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 149.12 Da
• Monoisotopic Mass: 149.12 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 103.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Foire aux questions

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 147116-33-4, the molecular formula is C10H15N, and the molecular weight is 149.23 g/mol. InChIKey AMXXYSXDJUIPMZ-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.