4-Hexylaniline - ≥95% , CAS No.33228-45-4

CAS: 33228-45-4 Cat. No.: H157102 Molecular Weight: 177.29 Beilstein Registry Number: 12(3)2759 EC Number: 251-409-8

GRADE & PURITY ≥95%

Synonyms

FT-0639088 | J-515449 | AKOS015839945 | p-n-Hexylaniline | SCHEMBL595535 | CAS-33228-45-4 | Benzenamine, 4-hexyl- | 4-12-00-02868 (Beilstein Handbook Reference) | DS-5420 | NCGC00164093-01 | H0890 | ANILINE, P-HEXYL- | MFCD00007927 | EINECS 251-409-8 | DT

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Overview

product description：

4-Hexylaniline reacts with isatin (1H-indole-2,3-dione) to form Schiff base ligand (HL). Mesomorphic properties of imine compounds derived from 4-hexylaniline has been investigated using polarised light optical microscopy and differential scanning calorimetry.

application：

4-Hexylaniline has been used in the preparation of stable ruthenium nanoparticles.

Specifications

Synonyms

FT-0639088 | J-515449 | AKOS015839945 | p-n-Hexylaniline | SCHEMBL595535 | CAS-33228-45-4 | Benzenamine, 4-hexyl- | 4-12-00-02868 (Beilstein Handbook Reference) | DS-5420 | NCGC00164093-01 | H0890 | ANILINE, P-HEXYL- | MFCD00007927 | EINECS 251-409-8 | DT

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504753549
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753549
• Canonical Smiles: CCCCCCC1=CC=C(C=C1)N
• IUPAC Name: 4-hexylaniline
• InChIKey: OVEMTTZEBOCJDV-UHFFFAOYSA-N
• INCHI: 1S/C12H19N/c1-2-3-4-5-6-11-7-9-12(13)10-8-11/h7-10H,2-6,13H2,1H3
• Isomeric SMILES: CCCCCCC1=CC=C(C=C1)N
• WGK Germany: 1
• RTECS: BY2305000
• Molecular Weight: 177.29
• Beilstein: 12(3)2759
• Reaxy-Rn: 2085111
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2085111&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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

Chemical and Physical Properties

• Solubility: Insoluble in water.
• Sensitivity: Light Sensitive,Air Sensitive,Heat Sensitive
• Refractive Index: 1.52
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 279-285 °C (lit.)
• Molecular Weight: 177.290 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 177.152 Da
• Monoisotopic Mass: 177.152 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 114.000
• 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

References

1. Yuan Cao, Yao Wu, Yiming Huang, Hongping Xiang, Lanyue Zhang.  (2024)  Photo/thermal dual-responsive azobenzene-based photosensitive resin for 4D printing.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.155140]