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

CAS: 621-95-4 Cat. No.: E156379 Molecular Weight: 212.3 Beilstein Registry Number: 394999 EC Number: 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

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]

Specifications & Purity

≥97%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%(GC)

Names and Identifiers

• Pubchem Sid: 488181561
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181561
• Canonical Smiles: 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
• Isomeric SMILES: C1=CC(=CC=C1CCC2=CC=C(C=C2)N)N
• WGK Germany: 2
• RTECS: BY0200000
• Molecular Weight: 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
    • Class Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: 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
• Description: 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

Associated Targets(Human)

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Melt Point(°C): 134 °C
• Molecular Weight: 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

References

1. Yu-Xia Zhang.  (2023)  The flexible EDAN-based covalent organic frameworks constructed by flexible knots and 4,4′-ethylenedianiline as a linker for adsorping and fluorescence sensing iodine.  MICROPOROUS AND MESOPOROUS MATERIALS,      [PMID:] [10.1016/j.micromeso.2023.112517]

2. Qingfu Ban, Yuanyuan Liu, Peiyan Liu, Yan Li, Yusheng Qin, Yaochen Zheng.  (2022)  Hierarchically nanostructured carbon nanotube/polyimide/mesoporous Fe2O3 nanocomposite for organic-inorganic lithium-ion battery anode.  MICROPOROUS AND MESOPOROUS MATERIALS,      [PMID:] [10.1016/j.micromeso.2022.111803]

3. Qingfu Ban, Yan Li, Yusheng Qin, Yaochen Zheng, Xiubo Xie, Zhen Yu, Jie Kong.  (2022)  Hierarchical engineering of Large-caliber carbon Nanotube/Mesoporous Carbon/Fe3C nanoparticle hybrid nanocomposite towards Ultra-lightweight electromagnetic microwave absorber.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:35240440] [10.1016/j.jcis.2022.02.104]

4. Haohao Wu, Haopu Xie, Xinxin Tian, Yinglu Sun, Biru Shi, Yan Zhou, Dekun Sheng, Xiangdong Liu, Yuming Yang.  (2021)  Hard, tough and fast self-healing thermoplastic polyurethane.  PROGRESS IN ORGANIC COATINGS,      [PMID:] [10.1016/j.porgcoat.2021.106409]

5. Haohao Wu, Xiangdong Liu, Dekun Sheng, Yan Zhou, Shaobin Xu, Haopu Xie, Xinxin Tian, Yinglu Sun, Biru Shi, Yuming Yang.  (2020)  High performance and near body temperature induced self-healing thermoplastic polyurethane based on dynamic disulfide and hydrogen bonds.  POLYMER,      [PMID:] [10.1016/j.polymer.2020.123261]

6. Yanan Ding, Lei Xia, Jianyang Wu, Qiugen Zhang, Qinglin Liu, Aimei Zhu.  (2025)  High permeance of polyamide nanofiltration membranes with adjustable pore structure based azo-porous polymer interlayer.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2025.135192]

7. Yi Yang, Beibei Chen, Kan Zhang.  (2025)  Synthesis and Structural Effects on Thermal, Mechanical, and Tribological Properties of Different Dianiline-Based Bisbenzoxazines.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.5c01164]