Hexadecyltrimethylammonium chloride
TL;DR: Hexadecyltrimethylammonium chloride (CAS 112-02-7) is a chemical compound with molecular formula C19H42ClN and molecular weight 319.30057 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hexadecyl(trimethyl)azanium chloride
Also Known As: Hexadecyltrimethylammonium chloride, Cetrimonium chloride, Cetyltrimethylammonium chloride, Dehyquart A, Genamin CTAC
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C19H42ClN |
| Molecular Weight | 319.30057 g/mol |
| XLogP | 3.18 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 15 |
| Exact Mass | 319.30057 Da |
| Heavy Atoms | 21 |
| Complexity | 181.0 |
| Boiling Point | 180 °F at 760 mmHg (isopropyl alcohol) (USCG, 1999) |
| Density | 0.9 at 77 °F (approx.) (USCG, 1999) - Less dense than water; will float |
| Flash Point | 69 °F (USCG, 1999) |
| Solubility | Water solubility: 440 mg/l at 30 °C |
| SMILES | CCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-] |
| InChIKey | WOWHHFRSBJGXCM-UHFFFAOYSA-M |
Product Description
Applications: Hexadecyltrimethylammonium chloride is used in pharmaceutical synthesis routes and API production, as well as surfactant and detergent formulations. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A pharmaceutical intermediate supplied by CoreyChem, Hexadecyltrimethylammonium chloride (CAS 112-02-7) has the molecular formula C19H42ClN and a molecular weight of 319.3 g/mol. Reported properties include a density of 0.9 at 77 °F (approx.) (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: Water solubility: 440 mg/l at 30 °C. Synonyms include Hexadecyltrimethylammonium chloride and Cetrimonium chloride.
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 Hexadecyltrimethylammonium chloride
Property Insights of Hexadecyltrimethylammonium chloride
The XLogP value of 3.18 indicates that Hexadecyltrimethylammonium chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Hexadecyltrimethylammonium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexadecyltrimethylammonium chloride has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Hexadecyltrimethylammonium chloride?
The CAS number of Hexadecyltrimethylammonium chloride is 112-02-7.
What is the molecular formula of Hexadecyltrimethylammonium chloride?
The molecular formula of Hexadecyltrimethylammonium chloride is C19H42ClN.
What is the molecular weight of Hexadecyltrimethylammonium chloride?
The molecular weight of Hexadecyltrimethylammonium chloride is 319.30057 g/mol.
What are the applications of Hexadecyltrimethylammonium chloride?
Hexadecyltrimethylammonium chloride is used in pharmaceutical synthesis routes and API production, as well as surfactant and detergent formulations. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project...
Where can I buy Hexadecyltrimethylammonium chloride?
You can request a quote for Hexadecyltrimethylammonium chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexadecyltrimethylammonium chloride?
Yes, CoreyChem provides custom synthesis services for Hexadecyltrimethylammonium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.