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

CAS: 33228-44-3 Cat. No.: A151044 Formula: C₁₁H₁₇N Peso molecolare: 163.26 Beilstein Registry Number: 12(3)2747 Numero EC: 622-989-3

QUALITÀ & PUREZZA ≥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

Panoramica

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

Specifiche

Sinonimi

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 |

Specifiche e purezza

≥97%(GC)

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥97%(GC)

Nomi e identificatori

Pubchem Sid

488186764

Pubchem Sid Url

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

Sorrisi canonici

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

Isomeri SMILES

CCCCCC1=CC=C(C=C1)N

Peso molecolare

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
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: air sensitive
• Indice di rifrazione: 1.53
• Punto di infiammabilità (°F): 230°F
• Punto di infiammabilità (°C): >110°C
• Punto di ebollizione (°C): 265 °C
• Peso molecolare: 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