1-Nitropropane

CAS 108-03-2  ·  C3H7NO2  ·  MW 89.09 g/mol

Full record: 1-Nitropropane — Safety Data Sheet →

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3D model 1-Nitropropane, CAS 108-03-2, molecular formula C3H7NO2, molar mass 89.09 g/mol

Model views

  • 1-Nitropropane (CAS 108-03-2) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • 1-Nitropropane (CAS 108-03-2) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • 1-Nitropropane (CAS 108-03-2) – 2D structure, MolGod Viewer
    2D structure

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1-Nitropropane, C3H7NO2, CAS 108-03-2 - 3D molecular model
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About 1-Nitropropane

1-Nitropropane is a chemical compound registered under number CAS 108-03-2, with the molecular formula C3H7NO2, and a molar mass of 89.09 g/mol.

The molecule contains 13 atoms connected by 12 chemical bonds. The full systematic IUPAC name of this compound is 1-nitropropane. 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 = 0.9 (positive value, a lipophilic compound), polar surface area PSA = 45.8 Ų, 0 donors and 2 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 formulaC3H7NO2
Molar mass89.09 g/mol
IUPAC1-nitropropane
SMILESCCC[N+](=O)[O-]
InChIKeyJSZOAYXJRCEYSX-UHFFFAOYSA-N
logP (XLogP3)0.9
PSA45.8 Ų
HBD / HBA0 / 2
PubChem CIDCID 7903 ↗
GHS safety

Signal word: Warning

GHS02
GHS02
GHS07
GHS07

H226 — Flammable liquid and vapour

H332 — Harmful if inhaled

H312 — Harmful in contact with skin

H302 — Harmful if swallowed

Scientific literature

Related literature

4 articles · 0 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filters:Export:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (number of articles: 4)

1982: number of articles 119821987: number of articles 219871992: number of articles 11992

Bar height = number of articles in a given year. Hover over a bar to see details.

Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

Synonyms
1-NITROPROPANE · 108-03-2 · Propane, 1-nitro- · NSC-6363 · 39W305OW99 · DTXCID50980 · CHEBI:76261 · RefChem:76597 · 203-544-9 · Nitropropane · 1-nitro-propane · MFCD00007407 · Propane, nitro- · Nitropropane, 1- · CAS-108-03-2
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
1-Nitropropane · 108-03-2
InChIKey
JSZOAYXJRCEYSX-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — 1-Nitropropane (CAS 108-03-2)
License & provenance record
1-Nitropropane (CAS 108-03-2) →
MolGod molecule record
1-Nitropropane →
Source data
PubChem CID 7903 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
22c5c33d3e575f4b70ae712bbca8cf54b6cc435b15caf33dbaa4d7fc5daf815d
MD5 (STL)
b119aa6bb0a95fd973125ddb092a3ff1
MolGod Identification Number
MG_869-442-202-97
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
not published yet
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