Triethylenephosphoramide
TL;DR: Triethylenephosphoramide (CAS 545-55-1) is a chemical compound with molecular formula C6H12N3OP and molecular weight 173.0718 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[bis(aziridin-1-yl)phosphoryl]aziridine
Also Known As: Triethylenephosphoramide, TEPA, Aphoxide, Imperon fixer T, TAPO
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H12N3OP |
| Molecular Weight | 173.0718 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 26.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 173.0718 Da |
| Heavy Atoms | 11 |
| Complexity | 194.0 |
| Melting Point | 106 °F (USCG, 1999) |
| Boiling Point | 90-91 °C @ 23 MM HG |
| Density | greater than 1 at 68 °F (est) (USCG, 1999) |
| Vapor Pressure | 0.0063 [mmHg] |
| Solubility | EXTREMELY SOL IN WATER; VERY SOL IN ALCOHOL, ETHER, ACETONE |
| SMILES | C1CN1P(=O)(N2CC2)N3CC3 |
| InChIKey | FYAMXEPQQLNQDM-UHFFFAOYSA-N |
Product Description
Applications: Triethylenephosphoramide 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 Triethylenephosphoramide (CAS 545-55-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Triethylenephosphoramide is a pharmaceutical intermediate identified by CAS number 545-55-1 and the molecular formula C6H12N3OP and a molecular weight of 173.07 g/mol. Physically, the compound has a density of greater than 1 at 68 °F (est) (USCG, 1999) g/cm³, a solubility: EXTREMELY SOL IN WATER; VERY SOL IN ALCOHOL, ETHER, ACETONE. It is also known as Triethylenephosphoramide and TEPA.
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 Triethylenephosphoramide
Property Insights of Triethylenephosphoramide
The XLogP value of -0.6 indicates that Triethylenephosphoramide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 26.1 Ų, Triethylenephosphoramide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Triethylenephosphoramide 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 Triethylenephosphoramide?
The CAS number of Triethylenephosphoramide is 545-55-1.
What is the molecular formula of Triethylenephosphoramide?
The molecular formula of Triethylenephosphoramide is C6H12N3OP.
What is the molecular weight of Triethylenephosphoramide?
The molecular weight of Triethylenephosphoramide is 173.0718 g/mol.
What are the applications of Triethylenephosphoramide?
Triethylenephosphoramide 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 Triethylenephosphoramide (CAS 545-55-1) with custom...
Where can I buy Triethylenephosphoramide?
You can request a quote for Triethylenephosphoramide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Triethylenephosphoramide?
Yes, CoreyChem provides custom synthesis services for Triethylenephosphoramide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.