4-Amylaniline - ≥97%(GC) , CAS No.33228-44-3

CAS: 33228-44-3 Cat. No.: A151044 Fórmula: C₁₁H₁₇N Peso molecular: 163.26 Beilstein Registry Number: 12(3)2747 Número EC: 622-989-3

GRADE & PURITY ≥97%(GC)

Synonyms

p-Amylaniline | A821678 | UNII-8ROJ0G9HIU | 4-Amylaniline | ANILINE, P-PENTYL- | 8ROJ0G9HIU | Q27270935 | 4-Pentylaniline, 98% | AS-56687 | SCHEMBL109256 | 3-(4-methoxyphenyl)prop-2-en-1-ol | DTXCID8020707 | NCGC00255675-01 | DTXSID0040707 | FT-0639087 |

Storage

Room temperature,Argon charged

Shipped In

Normal

Descripción general

4-Pentylaniline was used in the synthesis of 4-[(4′-pentyl)azo]phenol (5Az-OH) by diazo-coupling reaction with phenol.

Specifications

Sinónimos

p-Amylaniline | A821678 | UNII-8ROJ0G9HIU | 4-Amylaniline | ANILINE, P-PENTYL- | 8ROJ0G9HIU | Q27270935 | 4-Pentylaniline, 98% | AS-56687 | SCHEMBL109256 | 3-(4-methoxyphenyl)prop-2-en-1-ol | DTXCID8020707 | NCGC00255675-01 | DTXSID0040707 | FT-0639087 |

Especificaciones y pureza

≥97%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

Normal

Pureza

≥97%(GC)

Nombres e identificadores

• Pubchem Sid: 488186764
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186764
• Sonrisas canónicas: CCCCCC1=CC=C(C=C1)N
• IUPAC Name: 4-pentylaniline
• InChIKey: DGFTWBUZRHAHTH-UHFFFAOYSA-N
• INCHI: 1S/C11H17N/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9H,2-5,12H2,1H3
• Isómeros SMILES: CCCCCC1=CC=C(C=C1)N
• Peso molecular: 163.26
• Beilstein: 12(3)2747
• Reaxy-Rn: 2081420
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2081420&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: air sensitive
• Índice de refracción: 1.53
• Punto de inflamación (°F): 230°F
• Punto de inflamación (°C): >110°C
• Punto de ebullición (°C): 265 °C
• Peso molecular: 163.260 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 163.136 Da
• Monoisotopic Mass: 163.136 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 104.000
• 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

Referencias

1. Jiaqi Qi, Xuanfeng He, Haitao Jiang, Yuhuai Fei, Yinying Cheng, Jing Song, Cong Wang, Donglai Han.  (2026)  Tailoring Interfacial Electron Transfer in Au/S-Cs2SnI6@Liquid Crystal Heterostructures for Enhanced Nonlinear Optical Property.  Advanced Optical Materials,      [PMID:] [10.1002/adom.71534]