Hexamethylenetetramine
TL;DR: Hexamethylenetetramine (CAS 100-97-0) is a chemical compound with molecular formula C6H12N4 and molecular weight 140.1062 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
Also Known As: methenamine, Hexamethylenetetramine, Hexamine, Urotropine, Aminoform
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H12N4 |
| Molecular Weight | 140.1062 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 13.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 140.1062 Da |
| Heavy Atoms | 10 |
| Complexity | 84.0 |
| Melting Point | 536 °F (sublimes) (NTP, 1992) |
| Boiling Point | Sublimes (NTP, 1992) |
| Density | 1.35 at 68 °F (USCG, 1999) - Denser than water; will sink |
| Flash Point | 482 °F (NTP, 1992) |
| Vapor Pressure | 0.004 [mmHg] |
| Refractive Index | Index of refraction: 1.590 /monoclinic, isometric/ |
| Solubility | greater than or equal to 100 mg/mL at 68 °F (NTP, 1992) |
| SMILES | C1N2CN3CN1CN(C2)C3 |
| InChIKey | VKYKSIONXSXAKP-UHFFFAOYSA-N |
Product Description
Applications: Hexamethylenetetramine is used in pharmaceutical synthesis routes and API production, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Hexamethylenetetramine (CAS 100-97-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Hexamethylenetetramine (CAS 100-97-0) is a pharmaceutical intermediate with the molecular formula C6H12N4 and a molecular weight of 140.11 g/mol. Key physical properties include a density of 1.35 at 68 °F (USCG, 1999) - Denser than water; will sink g/cm³, a solubility: greater than or equal to 100 mg/mL at 68 °F (NTP, 1992). It is also known as methenamine and Hexamethylenetetramine.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Hexamethylenetetramine
Property Insights of Hexamethylenetetramine
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexamethylenetetramine. With a topological polar surface area (TPSA) of 13.0 Ų, Hexamethylenetetramine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexamethylenetetramine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Hexamethylenetetramine?
The CAS number of Hexamethylenetetramine is 100-97-0.
What is the molecular formula of Hexamethylenetetramine?
The molecular formula of Hexamethylenetetramine is C6H12N4.
What is the molecular weight of Hexamethylenetetramine?
The molecular weight of Hexamethylenetetramine is 140.1062 g/mol.
What are the applications of Hexamethylenetetramine?
Hexamethylenetetramine is used in pharmaceutical synthesis routes and API production, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Hexamethylenetetramine (CAS 100-97-0) with custom...
Where can I buy Hexamethylenetetramine?
You can request a quote for Hexamethylenetetramine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexamethylenetetramine?
Yes, CoreyChem provides custom synthesis services for Hexamethylenetetramine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.