This entry presents 4,4'-Diaminodiphenyl Ether (C12H12N2O; CAS 101-80-4; PubChem CID 7579) as a 3D-printable ball-and-stick model in which every atom carries its engraved element symbol (C, H, N, O), so the model can be read without a colour key. Atomic coordinates come from the PubChem-computed 3D conformer (not an experimental crystal structure); coordinates and connectivity are unchanged.

Structure at a glance

• 27 atoms: 12 C, 12 H, 2 N, 1 O

• 28 bonds: 16 single, 12 aromatic

• Two 6-membered rings, both aromatic

• Functional groups: one ether linkage (C-O-C) and two primary amino groups (-NH2)

• Two hydrogen-bond donors and three acceptors (computed)

• No carbon atom is sp3-hybridised

Use in teaching

• Counting task: students tally the engraved symbols (12 C, 12 H, 2 N, 1 O; 27 atoms) and rebuild the formula C12H12N2O from the model alone.

• Aromaticity: identify the two aromatic rings and the 12 bonds recorded as aromatic.

• Functional groups: find the ether linkage (C-O-C) and the two primary amino groups (-NH2) on the model and name each one.

File and printing

STL mesh of 359,500 triangles, a closed (watertight) single solid. Coordinates are in ångström and STL stores no unit, so scale the model deliberately in your slicer. Measured bounding box: 9.151 × 8.592 × 5.419 Å; at scale factor 10 (1 Å to 10 mm, file read in millimetres) the print measures about 91.5 × 85.9 × 54.2 mm. SHA-256: 522eeb3f91bf0db6d8c12c80736fd5991983ab4fb504fef368045324b721526e.

Validation

• InChIKey identical to the PubChem record (PubChem FTP SDF, file dated 2026-10-08): HLBLWEWZXPIGSM-UHFFFAOYSA-N

• Molecular formula and hydrogen-bond donor/acceptor counts identical to PubChem

• Mesh: triangle count in the header equals the actual count; 0 edges not shared by exactly two triangles; 1 connected solid; SHA-256 equal to the published file

Source, licence and identifiers

Full record: molgod.org/molecule/101-80-4 · Licence and provenance record: molgod.org/licenses/stl/101-80-4 · Same file on Wikimedia Commons: File:4,4'-Diaminodiphenyl Ether-3D-molecular-model-engraved-CAS-101-80-4.stl

• MolGod ID: MG_469-591-254-16

• Wikidata: Q3704503

• EC number: 202-977-0

• ChemSpider ID: 7298

• IUPAC name: 4-(4-aminophenoxy)aniline

• InChIKey: HLBLWEWZXPIGSM-UHFFFAOYSA-N

• SMILES: C1=CC(=CC=C1N)OC2=CC=C(C=C2)N

• Molar mass 200.24 g/mol (exact mass 200.094963011)

Licence: CC BY-SA 4.0 (licence text). Required attribution: "4,4'-Diaminodiphenyl Ether 3D model by MolGod.org — https://molgod.org/molecule/101-80-4/ — CC BY-SA 4.0".