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

CAS: 33228-44-3 Cat. No.: A151044 분자식: C₁₁H₁₇N 분자량: 163.26 Beilstein Registry Number: 12(3)2747 EC 번호: 622-989-3

등급 & 순도 ≥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

Argon charged,Room temperature

Shipped In

보통

개요

4-펜틸아닐린은 페놀과의 디아조 결합 반응에 의한 4-[(4′-펜틸)아조]페놀(5Az-OH)의 합성에 사용되었습니다.

사양

동의어

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 |

사양 및 순도

≥97%(GC)

보관 조건

Argon charged,Room temperature

배송

보통

순수함

≥97%(GC)

이름과 식별자

Pubchem Sid

488186764

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

CCCCCC1=CC=C(C=C1)N

분자량

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

작용 메커니즘

화학 및 물리적 특성

• 감도: air sensitive
• 굴절률: 1.53
• 발화점(°F): 230°F
• 발화점(°C): >110°C
• 끓는점(°C): 265 °C
• 분자량: 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