3,3'-Dichloro-4,4'-Diaminodiphenylmethane (CAS 101-14-4): engraved ball-and-stick 3D molecular model (STL)

Abstract

This entry presents 3,3'-Dichloro-4,4'-Diaminodiphenylmethane (C13H12Cl2N2; CAS 101-14-4; PubChem CID 7543) as a 3D-printable ball-and-stick model in which every atom carries its engraved element symbol (C, H, Cl, N), 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 29 atoms: 13 C, 12 H, 2 Cl, 2 N 30 bonds: 18 single, 12 aromatic Two 6-membered rings, both aromatic Functional groups: two primary amino groups (-NH2) and two C-Cl bonds Two hydrogen-bond donors and two acceptors (computed) Fraction of sp3-hybridised (tetrahedral) carbon atoms: 0.08 (computed) Use in teaching Counting task: students tally the engraved symbols (13 C, 12 H, 2 Cl, 2 N; 29 atoms) and rebuild the formula C13H12Cl2N2 from the model alone. Aromaticity: identify the two aromatic rings and the 12 bonds recorded as aromatic; the model draws them as one Kekulé structure (alternating single and double bonds), while in the real molecule they are delocalised, intermediate between single and double. Functional groups: find the two primary amino groups (-NH2) and the two C-Cl bonds on the model and name each one. File and printing STL mesh of 386,094 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: 8.433 × 8.434 × 5.191 Å; at scale factor 10 (1 Å to 10 mm, file read in millimetres) the print measures about 84.3 × 84.3 × 51.9 mm. SHA-256: 4fdd82cfa1d39d7b9455ee61d4b74d46a07adf1a64c93066c2a278c8cc25773a. Validation InChIKey identical to the PubChem record (PubChem FTP SDF, file dated 2026-10-08): IBOFVQJTBBUKMU-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/101-14-4 · Licence and provenance record: molgod.org/licenses/stl/101-14-4 · Same file on Wikimedia Commons: File:3,3'-Dichloro-4,4'-Diaminodiphenylmethane-3D-molecular-model-engraved-CAS-101-14-4.stl MolGod ID: MG_872-285-813-26 Wikidata: Q2257591 EC number: 202-918-9 ChemSpider ID: 7262 IUPAC name: 4-[(4-amino-3-chlorophenyl)methyl]-2-chloroaniline InChIKey: IBOFVQJTBBUKMU-UHFFFAOYSA-N SMILES: C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)Cl)Cl)N Molar mass 267.15 g/mol (exact mass 266.0377538) Licence: CC BY-SA 4.0 (licence text). Required attribution: "3,3'-Dichloro-4,4'-Diaminodiphenylmethane 3D model by MolGod.org — https://molgod.org/molecule/101-14-4/ — CC BY-SA 4.0".