1-Bromopropane — License & Provenance

CAS 106-94-5 · C3H7Br · MolGod 3D molecular model

1-Bromopropane (CAS 106-94-5) — full MolGod record: all data sections for this substance — properties, safety, regulatory status, spectra, literature.

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

Identity

MolGod Identification NumberMG_688-645-175-61
CAS Registry Number106-94-5
Name sourcecache cas-*.json field "title" (angielski)
Molecular formulaC3H7Br
PubChem CID7840
InChIKeyCYNYIHKIEHGYOZ-UHFFFAOYSA-N
WikidataQ161589
MolGod molecule record1-Bromopropane (CAS 106-94-5) — molecule record
Full MolGod record1-Bromopropane — full record (all data sections)

Geometry provenance

SourcePubChem, record_type=3d (computed conformer)
Endpointhttps://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/7840/record/SDF?record_type=3d
Dimensionality3d
Retrieved2026-08-25 11:12:28
Atoms / bonds11 / 10
ModificationNone. Atomic coordinates and connectivity are used unchanged; no geometry was modelled, adjusted or inferred.

Preview

3D molecular model of 1-Bromopropane (CAS 106-94-5), ball-and-stick representation, rendered from the MolGod STL fileDownload image


Rendered from this exact STL file, not from a second source. Single material — the STL format carries no colour channel. Colours in the preview are assigned by the renderer from the element palette and are not part of the downloadable geometry.

Engraved variant

3D molecular model of 1-Bromopropane (CAS 106-94-5), engraved variant: element symbols recessed into each atom sphere, rendered from the MolGod STL fileDownload image

This exact rendered image on Wikimedia Commons

The element symbol is cut into the sphere, not printed on it. That single difference is what this variant is for.

Why the preview looks the way it does. A carved letter has no colour of its own — on a pale atom it would disappear into the highlight. The preview is rendered from the mesh itself with ray-traced cavity shading, so recesses darken because they are recessed, not because we painted them. What you see is the geometry you will receive. The element colours follow the same palette as the interactive viewer on this site, so the model and the viewer never disagree about what an atom is.

Element symbols are recessed into the atom spheres. Mesh: 130,036 triangles versus 4,480.

Download engraved variant: 1-Bromopropane-3D-molecular-model-engraved-CAS-106-94-5.stl (6 MB)
SHA-256 345ab9368a24d1afb35ff04243abdb6b5653e305f0e06add08a5ea4e19f56673
Validation: mesh validity check PASS before publication (2026-10-14); overlay check PASS (7 of 7 common criteria, 3 of 3 fused-solid criteria correctly inverted), checked 2026-10-15T03:13:13Z
Recommended print scale: FDM (0.4 mm nozzle, 0.2 mm layer) at least 7.2 mm per Å (model about 35 mm across); resin printer (50 µm) at least 1.7 mm per Å (about 9 mm). Below this scale the engraved symbols become too fine to print. The printer limits are typical values assumed by MolGod, not a test of your printer.

This exact engraved file on Wikimedia Commons

Artefact

FormatSTL (binary). Coordinate convention: ångström (Å) — STL itself stores no unit metadata. Slicers read STL as millimetres by default, so set the scale deliberately before printing.
Print scaleRecommended print scale: FDM (0.4 mm nozzle, 0.2 mm layer) at least 3.4 mm per Å (model about 21 mm across); resin printer (50 µm) at least 0.5 mm per Å (about 3 mm). Below this scale the thinnest bond cylinders become too thin to print. The printer limits are typical values assumed by MolGod, not a test of your printer.
Download1-Bromopropane-3D-molecular-model-CAS-106-94-5.stl (219 KB)
SHA-25633943ed42899db969516c40c244d8245635aa6f85ee4a8efbbb73c8f7673d3a0
MD5664dc5825927c0b83fdb61864cd9cb77
Size224,084 bytes
Triangles4,480
Mesh11 atom spheres + 10 bond cylinders (one, two or three per bond, by bond order), each a closed outward-oriented solid; the solids intersect by design.
Atomic radiivan der Waals radii from the versioned MolGod table MG2, values from Bondi 1964 (doi:10.1021/j100785a001), checked against the original publication: Table I, p. 443. Used in this model: Br 1.85 Å†, C 1.70 Å, H 1.20 Å.
†Br: 1.85 Å as printed in the original (Bondi 1964, Table I, p. 443); later compilations quote Mantina 2009 Table 12 (doi:10.1021/jp8111556): 1.83 Å; Alvarez 2013 Table 1 (doi:10.1039/c3dt50599e): 1.83 Å. We use the value printed in the original.
The file header declares vdw:MG2.
Sphere scale and bond radius are presentation parameters, not chemical quantities.
ExporterMolGod STL Exporter build 48804cd20b0d
Validatormesh validity check PASS before publication (2026-10-14); independently confirmed by trimesh 5.1.0 and numpy-stl (4480 triangles, watertight, consistent winding, positive volume), checked 2026-09-26T00:14:31Z
Generated2026-10-14T09:33:14Z
The STL format stores no bond-order or colour metadata. Bond order is therefore shown geometrically — one, two or three cylinders per bond, following the PubChem Kekulé structure, in both the canonical and the engraved variant — and preserved as data in this record and in the accompanying metadata.

License

LicenseCC BY-SA 4.0 International
CreatorMolGod Scientific
Required attribution"1-Bromopropane (CAS 106-94-5) — 3D molecular model" by MolGod Scientific, licensed under CC BY-SA 4.0 International. Rendered as a triangulated mesh (van der Waals spheres and bond cylinders) from the PubChem-computed 3D conformer; atomic coordinates and connectivity unchanged. Source: https://molgod.org/licenses/stl/106-94-5/
Wikimedia Commons tag{{Cc-by-sa-4.0}}
Source representationPubChem computed 3D conformer (record_type=3d) — generated by PubChem itself, not supplied by a depositor.
Source rights basisNCBI Molecular Data Usage Policy. NCBI does not itself restrict use or redistribution of molecular data, but does not transfer rights that individual depositors may hold.
Rights assessmentcompatible — MolGod's own determination that this computed conformer may serve as the geometric basis of a derived mesh. This is not a licence grant by the source. The measured basis is that the conformer is computed by PubChem rather than deposited by a third party. A formal legal assessment of downstream rights has not been carried out; that risk is accepted explicitly and recorded in the MolGod decision register (2026-09-25).
Assessment scopeThis assessment covers only the computed 3D conformer used as geometric input. It does not extend to depositor data obtained from PubChem — names, spectra, physicochemical values or anything else.
Source URLPubChem CID 7840
Source license termsNCBI Policies and Disclaimers
Source licensing guidancePubChem data downloads & licensing — PubChem states that an individual data source may provide its own licence terms and that these should be checked per source. This model uses a PubChem-computed conformer, not depositor-supplied data.
Attribution URLhttps://molgod.org/molecule/106-94-5/
License & provenance URLhttps://molgod.org/licenses/stl/106-94-5/
ScopeThis license applies to the MolGod-created STL mesh, not automatically to third-party source material.
Licence terms & attributionMolGod licence and attribution rules →

Licence grant. MolGod Scientific, the creator and copyright holder of the STL mesh of MolGod entity MG_688-645-175-61, variant normal (SHA-256 33943ed42899db969516c40c244d8245635aa6f85ee4a8efbbb73c8f7673d3a0), hereby releases it under the CC BY-SA 4.0 International licence. The release covers the MolGod-created mesh only, not third-party source material (see Scope above).

The license above is the legal instrument and is granted by its official Creative Commons deed. This page is the MolGod provenance record for the artefact; it documents the source and the pipeline, and does not impose any condition beyond those of the license itself.

This 3D model is also published on: Zenodo (DOI 10.5281/zenodo.23277518) · NIH 3D (3DPX-023726) · Wikimedia Commons
Included in datasets: Hugging Face · OSF project index
Source structure: PubChem (CID 7840)