1-Propanamine, 3-chloro-, hydrochloride

CAS 6276-54-6  ·  C₃H₉Cl₂N  ·  MW 130.01 g/mol

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3D model 1-Propanamine, 3-chloro-, hydrochloride, CAS 6276-54-6, molecular formula C₃H₉Cl₂N, molar mass 130.01 g/mol
About 1-Propanamine, 3-chloro-, hydrochloride

1-Propanamine, 3-chloro-, hydrochloride is a chemical compound registered under number CAS 6276-54-6, with the molecular formula C₃H₉Cl₂N, and a molar mass of 130.01 g/mol.

The molecule contains 15 atoms connected by 13 chemical bonds. The full systematic IUPAC name of this compound is 3-chloropropan-1-amine;hydrochloride. 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, polar surface area PSA = 26 Ų, 2 donors and 1 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 widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC₃H₉Cl₂N
Molar mass130.01 g/mol
IUPAC3-chloropropan-1-amine;hydrochloride
SMILESC(CN)CCl.Cl
InChIKeyIHPRVZKJZGXTBQ-UHFFFAOYSA-N
logP (XLogP3)—
PSA26 Ų
HBD / HBA2 / 1
PubChem CIDCID 11469095 ↗
GHS safety

Signal word: Danger

GHS07
GHS07
GHS08
GHS08

H315 — Causes skin irritation

H319 — Causes serious eye irritation

H335 — May cause respiratory irritation

Scientific literature

Related literature

7 articles · 3 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (number of articles: 7)

2004: number of articles 120042007: number of articles 12012: number of articles 12016: number of articles 120162017: number of articles 12026: number of articles 12026

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
3-Chloropropylamine hydrochloride · 6276-54-6 · 1-Propanamine, 3-chloro-, hydrochloride · 5FM9G9BH62 · RefChem:1056844 · 228-474-6 · 3-chloropropan-1-amine Hydrochloride · 1-Amino-3-chloropropane hydrochloride · 3-CHLOROPROPYLAMINE HCl · MFCD00012913 · 3-Chloropropylammonium chloride · 3-chloropropan-1-amine;hydrochloride · chloropropylamine hydrochloride · 3-chloropropylamine-hydrochloride · 3-chloro-propylamine hydrochloride
Data sources
Related molecules
📜 License & provenancePREDICTED MODEL · NOT VERIFIEDMolGod_License_1
PREDICTED MODEL — NOT VERIFIED
computed by MolGod Scientific · experimental feature (beta) · may contain errors
ILLUSTRATIVE FRAGMENT ARRANGEMENT — relative positions are not structural data

No source 3-D conformer was available to MolGod for this substance. MolGod Scientific computed this geometry from the structural formula with RDKit 2026.03.6 (ETKDGv3 conformer generation, MMFF94+UFF force-field optimisation; lowest-energy converged conformer of a fixed-seed set). It is not a measured structure, it does not come from PubChem, and it has not been compared with experimental data. It shows one possible conformation.

This substance consists of 2 separate components (for example ions). Each component was computed separately; they are arranged radially around a layout anchor for visualisation only (at least 3.0 Å apart). Their relative positions are not a crystal structure, coordination geometry, ionic contacts or any experimentally determined arrangement.

Methods and references
  1. RDKit: Open-source cheminformatics, version 2026.03.6. Zenodo. doi:10.5281/zenodo.22140358 (all versions: doi:10.5281/zenodo.591637)
  2. Riniker S, Landrum GA. Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation. J. Chem. Inf. Model. 2015, 55, 2562-2574. doi:10.1021/acs.jcim.5b00654
  3. Wang S, Witek J, Landrum GA, Riniker S. Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences. J. Chem. Inf. Model. 2020, 60, 2044-2058. doi:10.1021/acs.jcim.0c00025
  4. Halgren TA. Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94. J. Comput. Chem. 1996, 17, 490-519. doi:10.1002/(SICI)1096-987X(199604)17:5/6<490::AID-JCC1>3.0.CO;2-P
  5. Tosco P, Stiefl N, Landrum G. Bringing the MMFF force field to the RDKit: implementation and validation. J. Cheminform. 2014, 6, 37. doi:10.1186/s13321-014-0037-3
  6. Rappe AK, Casewit CJ, Colwell KS, Goddard WA III, Skiff WM. UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations. J. Am. Chem. Soc. 1992, 114, 10024-10035. doi:10.1021/ja00051a040
  7. Heller SR, McNaught A, Pletnev I, Stein S, Tchekhovskoi D. InChI, the IUPAC International Chemical Identifier. J. Cheminform. 2015, 7, 23. doi:10.1186/s13321-015-0068-4
  8. Kim S, Chen J, Cheng T, et al. PubChem 2025 update. Nucleic Acids Res. 2025, 53, D1516-D1525. doi:10.1093/nar/gkae1059 Compound record: https://pubchem.ncbi.nlm.nih.gov/compound/11469095
  9. Bolton EE, Kim S, Bryant SH. PubChem3D: Conformer generation. J. Cheminform. 2011, 3, 4. doi:10.1186/1758-2946-3-4 (cited for contrast: no source 3-D conformer was available to MolGod for this record)
1-Propanamine, 3-chloro-, hydrochloride (CAS 6276-54-6), C₃H₉Cl₂N - 3D ball-and-stick molecular model, engraved element symbols (C H Cl N), MolGod STL previewDownload image

MG-STL-6276-54-6-ENGRAVED · 168,026 △ · 8 MB · SHA-256 79d0f07ba70ad900

Download 3D model · ENGRAVED · C H Cl N

1-Propanamine, 3-chloro-, hydrochloride (CAS 6276-54-6), C₃H₉Cl₂N - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG-STL-6276-54-6-NORMAL · 6,048 △ · 295 KB · SHA-256 a2f7c85353752c6f

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Model
1-Propanamine, 3-chloro-, hydrochloride · 6276-54-6
InChIKey
IHPRVZKJZGXTBQ-UHFFFAOYSA-N
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — 1-Propanamine, 3-chloro-, hydrochloride (CAS 6276-54-6)
License & provenance record
1-Propanamine, 3-chloro-, hydrochloride (CAS 6276-54-6) →
MolGod molecule record
1-Propanamine, 3-chloro-, hydrochloride →
Source data
PubChem CID 11469095 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 59d3f622957e · generated 2026-10-08
SHA-256 (STL)
a2f7c85353752c6ff1122312a79b15f0d41795f7ab8e143fe5bea2b9e7c951e8
MD5 (STL)
6e8ab6f171c3a42f1e7b1435c321e8aa
Model identifier
MG-STL-6276-54-6
Transformation
MolGod Scientific ball-and-stick mesh
Changes
PREDICTED geometry computed by MolGod Scientific (RDKit), NOT verified; rendered as a triangulated mesh.
Wikimedia Commons
not published yet

This license applies to the MolGod-created STL mesh, not automatically to third-party source material.

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