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 CE: 622-989-3

GRAU & PUREZA ≥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

Visão geral

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

Especificações

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 |

Especificações e pureza

≥97%(GC)

Condições de armazenamento de armazenamento

Room temperature,Argon charged

Enviado em

Normal

Pureza

≥97%(GC)

Nomes e identificadores

Pubchem Sid

488186764

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186764

Sorrisos canónicos

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

SMILES isoméricas

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
    • Classe Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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 ação

Propriedades químicas e físicas

• Sensibilidade: air sensitive
• Índice de refração: 1.53
• Ponto de inflamação (°F): 230°F
• Ponto de inflamação (°C): >110°C
• Ponto de ebulição (°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