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

CAS: 33228-44-3 Cat. No.: A151044 分子式: C₁₁H₁₇N 分子量: 163.26 Beilstein Registry Number: 12(3)2747 EC番号: 622-989-3

グレード＆純度 ≥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

概要

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

仕様

同義語

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 |

仕様と純度

≥97%(GC)

保管条件

Room temperature,Argon charged

入荷

Normal

純度

≥97%(GC)

名前と識別子

パブケム・シド

488186764

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

CCCCCC1=CC=C(C=C1)N

分子量

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• 感度: air sensitive
• 屈折率: 1.53
• 引火点（°F）: 230°F
• 引火点（°C）: >110°C
• 沸点（°C）: 265 °C
• 分子量: 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