4-Octadecylaniline - ≥97% , CAS No.114235-67-5

CAS: 114235-67-5 Cat. No.: O468591 分子式: CH₃(CH₂)₁₇C₆H₄NH₂ 分子量: 345.6

グレード＆純度 ≥97%

Synonyms

A803158 | 4-Octadecylaniline | 4-octa-decylaniline | 4-OCTADECYLANILINE97 | CCRTYBGROAGVGK-UHFFFAOYSA-N | 4-OCTADECYLANILINE 97 | SCHEMBL1265414 | DTXSID10393672 | J-003066 | SudanIII | 4-Octadecylaniline, 97% | p-octadecyl-aniline | Benzenamine, 4-octad

Storage

Room temperature

概要

Description

4-Octadecylaniline was used in the fabrication of alternate-layer Langmuir-Blodgett (LB) films and pyroelectric activity in the films was assesd.

仕様

同義語

A803158 | 4-Octadecylaniline | 4-octa-decylaniline | 4-OCTADECYLANILINE97 | CCRTYBGROAGVGK-UHFFFAOYSA-N | 4-OCTADECYLANILINE 97 | SCHEMBL1265414 | DTXSID10393672 | J-003066 | SudanIII | 4-Octadecylaniline, 97% | p-octadecyl-aniline | Benzenamine, 4-octad

仕様と純度

≥97%

保管条件

Room temperature

純度

≥97%

名前と識別子

カノニカル・スマイル

CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)N

IUPAC Name

4-octadecylaniline

InChIKey

CCRTYBGROAGVGK-UHFFFAOYSA-N

INCHI

1S/C24H43N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-21-24(25)22-20-23/h19-22H,2-18,25H2,1H3

異性体SMILES

CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)N

WGKドイツ

3

分子量

345.6

Reaxy-Rn

3335514

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3335514&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 Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Organic nitrogen 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

化学的性質と物理的性質

• 分子量: 345.600 g/mol
• XLogP3: 10.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 17
• Exact Mass: 345.34 Da
• Monoisotopic Mass: 345.34 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 255.000
• 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