Hexamethylenetetramine (CAS 100-97-0)

Hexamethylenetetramine

CAS 100-97-0  ·  C6H12N4  ·  MW 140.19 g/mol

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Safety data sheet with all sections: GHS classification, transport, regulatory status, spectra, 3D model and literature.
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3D model Hexamethylenetetramine, CAS 100-97-0, molecular formula C6H12N4, molar mass 140.19 g/mol
About Hexamethylenetetramine (CAS 100-97-0)

Hexamethylenetetramine (CAS 100-97-0) is a chemical compound registered under number CAS 100-97-0, with the molecular formula C6H12N4, and a molar mass of 140.19 g/mol.

The molecule contains 22 atoms connected by 24 chemical bonds. The full systematic IUPAC name of this compound is 1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane. 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 = 0.3 (positive value, a lipophilic compound), polar surface area PSA = 13 Ų, 0 donors and 4 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 formulaC6H12N4
Molar mass140.19 g/mol
IUPAC1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
SMILESC1N2CN3CN1CN(C2)C3
InChIKeyVKYKSIONXSXAKP-UHFFFAOYSA-N
logP (XLogP3)0.3
PSA13 Ų
HBD / HBA0 / 4
PubChem CIDCID 4101 ↗
GHS safety

Signal word: Warning

GHS02
GHS02
GHS07
GHS07

H228 — Flammable solid

H317 — May cause an allergic skin reaction

Scientific literature

Related literature

20 articles · 11 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (number of articles: 20)

2004: number of articles 120042012: number of articles 12015: number of articles 22017: number of articles 12018: number of articles 12022: number of articles 120222023: number of articles 32024: number of articles 22025: number of articles 22026: number of articles 62026

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
methenamine · Hexamethylenetetramine · 100-97-0 · Hexamine · Urotropine · Urotropin · 1,3,5,7-Tetraazaadamantane · Uritone · Hexamethylenamine · HMTA · Formamine · Methenamin · Hexamethylene tetramine · Ammoform · Cystamin
Data sources
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Model
Hexamethylenetetramine · 100-97-0
InChIKey
VKYKSIONXSXAKP-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Hexamethylenetetramine (CAS 100-97-0)
License & provenance record
Hexamethylenetetramine (CAS 100-97-0) →
MolGod molecule record
Hexamethylenetetramine →
Source data
PubChem CID 4101 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 2ea9a8c82836 · generated 2026-10-28
SHA-256 (STL)
21081d35e0b1fea25e2a0f0dad9964893546bf7b06686cb90acaecb641f428bd
MD5 (STL)
b7b271b914edbb281ecb8c10b49f33d2
Model identifier
MG-STL-100-97-0
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
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