4,4'-oxydianiline and its salts (CAS 101-80-4)

Name: 4,4'-Diaminodiphenyl Ether (CAS 101-80-4) – space-filling 3D model – rotation animation, MolGod Viewer
Uploaded: 2026-11-01T12:52:18Z
Duration: 3 s
Channel: MolGod Scientific
Description: 4,4'-Diaminodiphenyl Ether (CAS 101-80-4) – space-filling 3D model – rotation animation, MolGod Viewer

4,4'-Diaminodiphenyl Ether

CAS 101-80-4 · C₁₂H₁₂N₂O · MW 200.24 g/mol

4,4'-oxydianiline and its salts (CAS 101-80-4) — full MolGod record →
Safety data sheet with all sections: GHS classification, transport, regulatory status, spectra, 3D model and literature.

Model views

ball-and-stick 3D model
skeletal 3D model
space-filling 3D model – rotation animation
2D structure

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4,4'-Diaminodiphenyl Ether (CAS 101-80-4), C12H12N2O - 3D ball-and-stick molecular model, engraved element symbols (C H N O), MolGod STL preview

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Download 3D model: 4,4'-Diaminodiphenyl Ether, C₁₂H₁₂N₂O, CAS 101-80-4 · ENGRAVED (C, H, N, O) · 17 MB

4,4'-Diaminodiphenyl Ether (CAS 101-80-4), C12H12N2O - 3D ball-and-stick molecular model, MolGod STL preview

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About 4,4'-oxydianiline and its salts (CAS 101-80-4)

4,4'-oxydianiline and its salts (CAS 101-80-4) is a chemical compound registered under number CAS 101-80-4, with the molecular formula C₁₂H₁₂N₂O, and a molar mass of 200.24 g/mol.

The molecule contains 27 atoms connected by 28 chemical bonds. The full systematic IUPAC name of this compound is 4-(4-aminophenoxy)aniline. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 1.4 (positive value, a lipophilic compound), polar surface area PSA = 61.3 Å², 2 donors and 3 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties

Molecular formula	C₁₂H₁₂N₂O
Molar mass	200.24 g/mol
IUPAC	4-(4-aminophenoxy)aniline
SMILES	`C1=CC(=CC=C1N)OC2=CC=C(C=C2)N`
InChIKey	`HLBLWEWZXPIGSM-UHFFFAOYSA-N`
logP (XLogP3)	1.4
PSA	61.3 Å²
HBD / HBA	2 / 3
PubChem CID	CID 7579 ↗

GHS safety

Signal word: Danger

GHS06

GHS08

GHS09

H350 — May cause cancer

H340 — May cause genetic defects

? — H361f — Suspected of damaging fertility

H331 — Toxic if inhaled

H311 — Toxic in contact with skin

H301 — Toxic if swallowed

H411 — Toxic to aquatic life with long lasting effects

Scientific literature

Brak articles naukowych dla CAS 101-80-4 w PubMed / OpenAlex / Semantic Scholar.

Synonyms

4,4'-Oxydianiline · 101-80-4 · 4,4'-Diaminodiphenyl ether · 4,4-Oxydianiline · 4-Aminophenyl ether · Oxydianiline · Diaminodiphenyl ether · Dadpe · Bis(p-aminophenyl) ether · Bis(4-aminophenyl) ether · 4,4'-Oxybisbenzenamine · p,p'-Oxydianiline · Benzenamine, 4,4'-oxybis- · p-Aminophenyl ether · 4,4-Diaminodiphenyl ether

Data sources

📊 PubChem CID 7579 — NIH
🔬 NIST WebBook — spectroscopy
💊 ChEMBL — bioactivity

Related molecules

4,4'-diaminodiphenylmethane (CAS 101-77-9) CAS 101-77-9 · C13H14N2 Similar structure · Tanimoto 0.40 Aniline (CAS 62-53-3) CAS 62-53-3 · C6H7N Similar structure · Tanimoto 0.39 1,1'-Oxybis(4-nitrobenzene) CAS 101-63-3 · C12H8N2O5 Similar structure · Tanimoto 0.38 4-nitroaniline (CAS 100-01-6) CAS 100-01-6 · C6H6N2O2 Similar structure · Tanimoto 0.33 o-Tolidine CAS 119-93-7 · C14H16N2 Shared hazard H350 3,3'-Dichloro-4,4'-Diaminodiphenylmethane CAS 101-14-4 · C13H12Cl2N2 Shared hazard H350

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COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.

Model: 4,4'-Diaminodiphenyl Ether · 101-80-4
InChIKey: HLBLWEWZXPIGSM-UHFFFAOYSA-N
License: CC BY-SA 4.0 International
Attribution: MolGod Scientific — 4,4'-Diaminodiphenyl Ether (CAS 101-80-4)
License & provenance record: 4,4'-Diaminodiphenyl Ether (CAS 101-80-4) →
MolGod molecule record: 4,4'-Diaminodiphenyl Ether →
Source data: PubChem CID 7579 ↗
Model information: STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL): 1da5b3a8ddd94b5658f546c59527a1fb147c98f5100108ec0d38191a70a9b3c7
MD5 (STL): bb19756e22786eb13395c9196cdc89a9
MolGod Identification Number: MG_469-591-254-16
Transformation: MolGod Scientific ball-and-stick mesh
Changes: Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons: STL · PNG

📄 Download 3D model: 4,4'-Diaminodiphenyl Ether, C₁₂H₁₂N₂O, CAS 101-80-4 · NORMAL · 581 KB 📄 Download 3D model: 4,4'-Diaminodiphenyl Ether, C₁₂H₁₂N₂O, CAS 101-80-4 · ENGRAVED (C, H, N, O) · 17 MB

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