2,3-epoxypropyltrimethylammonium chloride (CAS 3033-77-0)

Glycidyltrimethylammonium chloride

CAS 3033-77-0  ·  C₆H₁₄ClNO  ·  MW 151.63 g/mol

2,3-epoxypropyltrimethylammonium chloride (CAS 3033-77-0) — full MolGod record →
Safety data sheet with all sections: GHS classification, transport, regulatory status, spectra, 3D model and literature.
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3D model Glycidyltrimethylammonium chloride, CAS 3033-77-0, molecular formula C₆H₁₄ClNO, molar mass 151.63 g/mol

Model views

  • Glycidyltrimethylammonium chloride (CAS 3033-77-0) – ball-and-stick model (flat projection), MolGod Viewer
    ball-and-stick model (flat projection)
  • Glycidyltrimethylammonium chloride (CAS 3033-77-0) – skeletal model (flat projection), MolGod Viewer
    skeletal model (flat projection)
  • Glycidyltrimethylammonium chloride (CAS 3033-77-0) – 2D structure, MolGod Viewer
    2D structure

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🖨️ 3D print model & licensePREDICTED MODEL · NOT VERIFIEDMolGod_Print3D_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 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.

1 stereo element(s) undefined in the source record (1 stereocentre(s), 0 double-bond E/Z) were assigned arbitrarily; the model shows one stereoisomer only, which may not be the naturally occurring or commercial form.

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. 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
  7. 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/18205
  8. 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)
Glycidyltrimethylammonium chloride (CAS 3033-77-0), C₆H₁₄ClNO - 3D ball-and-stick molecular model, engraved element symbols (C H Cl N O), MolGod STL previewDownload image

MG_913-327-217-48 · engraved · 253,474 △ · 12 MB · SHA-256 ad00c67889193422

Download 3D model: Glycidyltrimethylammonium chloride, C₆H₁₄ClNO, CAS 3033-77-0 · ENGRAVED (C, H, Cl, N, O) · 12 MB

Glycidyltrimethylammonium chloride (CAS 3033-77-0), C₆H₁₄ClNO - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG_913-327-217-48 · normal · 9,472 △ · 463 KB · SHA-256 c1bd2c81c77a49cf

Download 3D model: Glycidyltrimethylammonium chloride, C₆H₁₄ClNO, CAS 3033-77-0 · NORMAL · 463 KB

License & provenance ↓

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About 2,3-epoxypropyltrimethylammonium chloride (CAS 3033-77-0)

2,3-epoxypropyltrimethylammonium chloride (CAS 3033-77-0) is a chemical compound registered under number CAS 3033-77-0, with the molecular formula C₆H₁₄ClNO, and a molar mass of 151.63 g/mol.

The molecule contains 23 atoms connected by 22 chemical bonds. The full systematic IUPAC name of this compound is trimethyl(oxiran-2-ylmethyl)azanium chloride. 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 = 12.5 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 formulaC₆H₁₄ClNO
Molar mass151.63 g/mol
IUPACtrimethyl(oxiran-2-ylmethyl)azanium chloride
SMILESC[N+](C)(C)CC1CO1.[Cl-]
InChIKeyPUVAFTRIIUSGLK-UHFFFAOYSA-M
logP (XLogP3)—
PSA12.5 Ų
HBD / HBA0 / 2
PubChem CIDCID 18205 ↗
GHS safety

Signal word: Danger

GHS05
GHS05
GHS07
GHS07
GHS08
GHS08

H350 — May cause cancer

H341 — Suspected of causing genetic defects

? — H361f — Suspected of damaging fertility

H312 — Harmful in contact with skin

H302 — Harmful if swallowed

H373 — May cause damage to organs through prolonged or repeated exposure

H318 — Causes serious eye damage

H317 — May cause an allergic skin reaction

H412 — Harmful to aquatic life with long lasting effects

Scientific literature

Related literature

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

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

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

Synonyms
3033-77-0 · 2,3-Epoxypropyltrimethylammonium chloride · GLYCIDYLTRIMETHYLAMMONIUM CHLORIDE · (2,3-Epoxypropyl)trimethylammonium chloride · Glycidyl trimethylammonium chloride · Glytac A 100 · G-MAC · Oxiranemethanaminium, N,N,N-trimethyl-, chloride · Trimethylglycidylammonium chloride · 1-(Trimethylammonio)-2,3-epoxypropane chloride · N-Glycidyl-N,N,N-trimethylammonium chloride · Ammonium, (2,3-epoxypropyl)trimethyl-, chloride · 283XH39M8X · N,N,N-Trimethyloxiranemethanaminium chloride · NSC-51213
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 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.

1 stereo element(s) undefined in the source record (1 stereocentre(s), 0 double-bond E/Z) were assigned arbitrarily; the model shows one stereoisomer only, which may not be the naturally occurring or commercial form.

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. 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
  7. 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/18205
  8. 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)
Model
Glycidyltrimethylammonium chloride · 3033-77-0
InChIKey
PUVAFTRIIUSGLK-UHFFFAOYSA-M
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — Glycidyltrimethylammonium chloride (CAS 3033-77-0)
License & provenance record
Glycidyltrimethylammonium chloride (CAS 3033-77-0) →
MolGod molecule record
Glycidyltrimethylammonium chloride →
Source data
PubChem CID 18205 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
c1bd2c81c77a49cfb90bd5579036430c5fa9455f5b687b5d101ac9fa589b6879
MD5 (STL)
5c5dfb020e402a31c6b259ba177f6035
MolGod Identification Number
MG_913-327-217-48
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
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