4,4'-Ethylenedianiline - ≥97%(GC) , CAS No.621-95-4

CAS: 621-95-4 Cat. No.: E156379 분자식: C₁₄H₁₆N₂ 분자량: 212.3 Beilstein Registry Number: 394999 EC 번호: 210-716-7

GRADE & PURITY ≥97%(GC)

Synonyms

Aniline, 4,4'-ethylenedi- | DTXSID3060742 | W-105034 | F16584 | STL089722 | Benzenamine, 4,4'-(1,2-ethanediyl)bis- | NSC44062 | NSC-44062 | 4,4 inverted exclamation marka-Ethylenedianiline | 4,4'-Diaminobibenzyl | MLS001180989 | 4-[2-(4-Aminophenyl)ethyl]

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

동의어

Aniline, 4,4'-ethylenedi- | DTXSID3060742 | W-105034 | F16584 | STL089722 | Benzenamine, 4,4'-(1,2-ethanediyl)bis- | NSC44062 | NSC-44062 | 4,4 inverted exclamation marka-Ethylenedianiline | 4,4'-Diaminobibenzyl | MLS001180989 | 4-[2-(4-Aminophenyl)ethyl]

사양 및 순도

≥97%(GC)

보관 조건

Argon charged,Room temperature

배송

Normal

순수함

≥97%(GC)

이름과 식별자

Pubchem Sid

488181561

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181561

정식 스마일

C1=CC(=CC=C1CCC2=CC=C(C=C2)N)N

IUPAC Name

4-[2-(4-aminophenyl)ethyl]aniline

InChIKey

UHNUHZHQLCGZDA-UHFFFAOYSA-N

INCHI

1S/C14H16N2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10H,1-2,15-16H2

이성체 SMILES

C1=CC(=CC=C1CCC2=CC=C(C=C2)N)N

WGK 독일

2

RTECS

BY0200000

분자량

212.3

Beilstein

394999

Reaxy-Rn

394999

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=394999&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 분류 Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 분류: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Aniline and substituted anilines Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Aniline or substituted anilines - Benzenoid - Monocyclic benzene moiety - 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 stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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

관련 대상(인간)

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GFER Tchem FAD-linked sulfhydryl oxidase ALR (1466 Activities)

Discover Target: GFER

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 감도: Air Sensitive
• 녹는점(°C): 134 °C
• 분자량: 212.290 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 212.131 Da
• Monoisotopic Mass: 212.131 Da
• Topological Polar Surface Area: 52.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 167.000
• 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