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NIH 3D
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1-Bromopropane - engraved ball-and-stick model (CAS 106-94-5)

Created by
MolGod
Created:
10/10/26
Submitted:
10/10/26
Published:
10/10/26
Engraved ball-and-stick STL of 1-Bromopropane (CAS 106-94-5), PubChem-computed conformer, coordinates in angstrom
1-bromopropane-3d-molecular-model-engraved-cas-106-94-5Engraved ball-and-stick STL of 1-Bromopropane (CAS 106-94-5), PubChem-computed conformer, coordinates in angstrom

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Engraved ball-and-stick STL of 1-Bromopropane (CAS 106-94-5), PubChem-computed conformer, coordinates in angstrom

Learn more about NIH 3D workflow outputs

3DPX-023726

Licensing:

CC-BY-SA
How to cite this NIH 3D entry
6
12
Version 1

Category

Small Molecules
Small Molecules
Description

This entry presents 1-Bromopropane (C3H7Br; CAS 106-94-5; PubChem CID 7840) as a 3D-printable ball-and-stick model in which every atom carries its engraved element symbol (C, H, Br), 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.

Biological relevance: 1-Bromopropane is recorded as a carcinogen and as a developmental toxicant and a male and female reproductive toxicant (source: Wikidata Q161589, retrieved 2026-10-10).

Structure at a glance

  • 11 atoms: 3 C, 7 H, 1 Br

  • 10 bonds, all single

  • No rings (open-chain structure)

  • Functional group: one C-Br bond

  • No hydrogen-bond donors or acceptors (computed)

  • Every carbon atom is sp3-hybridised (tetrahedral)

Use in teaching

  • Counting task: students tally the engraved symbols (3 C, 7 H, 1 Br; 11 atoms) and rebuild the formula C3H7Br from the model alone.

  • Functional groups: find the C-Br bond on the model and name it.

File and printing

STL mesh of 130,036 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: 4.782 × 4.291 × 3.413 Å; at scale factor 10 (1 Å to 10 mm, file read in millimetres) the print measures about 47.8 × 42.9 × 34.1 mm. SHA-256: 345ab9368a24d1afb35ff04243abdb6b5653e305f0e06add08a5ea4e19f56673.

Validation

  • InChIKey identical to the PubChem record (PubChem FTP SDF, file dated 2026-10-08): CYNYIHKIEHGYOZ-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/106-94-5 · Licence and provenance record: molgod.org/licenses/stl/106-94-5 · Same file on Wikimedia Commons: File:1-Bromopropane-3D-molecular-model-engraved-CAS-106-94-5.stl

  • MolGod ID: MG_688-645-175-61

  • Wikidata: Q161589

  • EC number: 203-445-0

  • ChemSpider ID: 7552

  • IUPAC name: 1-bromopropane

  • InChIKey: CYNYIHKIEHGYOZ-UHFFFAOYSA-N

  • SMILES: CCCBr

  • Molar mass 122.99 g/mol (exact mass 121.97311)

Licence: CC BY-SA 4.0 (licence text). Required attribution: "1-Bromopropane 3D model by MolGod.org — https://molgod.org/molecule/106-94-5/ — CC BY-SA 4.0".

Source Data Details
Attribution Instructions
3D Printing Instructions