1-(N-ethyl-N-nitrosamino)ethyl phosphate
TL;DR: 1-(N-ethyl-N-nitrosamino)ethyl phosphate (CAS 105528-06-1) is a chemical compound with molecular formula C4H11N2O5P and molecular weight 198.04056 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[ethyl(nitroso)amino]ethyl dihydrogen phosphate
Also Known As: 1-Enep, 1-[ethyl(nitroso)amino]ethyl dihydrogen phosphate, 1-(N-Ethyl-N-nitrosamino)ethyl phosphate, Ethanol, 1-(ethylnitrosoamino)-, dihydrogen phosphate (ester), Tetratriaconta-16(Z),19(Z),22(Z),25(Z),28(Z),31(Z)-hexaenoic Acid
Technical Specifications
| Molecular Formula | C4H11N2O5P |
| Molecular Weight | 198.04056 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 99.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.04056 Da |
| Heavy Atoms | 12 |
| Complexity | 192.0 |
| SMILES | CCN(C(C)OP(=O)(O)O)N=O |
| InChIKey | GMTUFHJJNHDDFA-UHFFFAOYSA-N |
Chemical Property Profile of 1-(N-ethyl-N-nitrosamino)ethyl phosphate
Property Insights of 1-(N-ethyl-N-nitrosamino)ethyl phosphate
The XLogP value of -0.7 indicates that 1-(N-ethyl-N-nitrosamino)ethyl phosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(N-ethyl-N-nitrosamino)ethyl phosphate. Following Lipinski's Rule of Five, 1-(N-ethyl-N-nitrosamino)ethyl phosphate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(N-ethyl-N-nitrosamino)ethyl phosphate?
The CAS number of 1-(N-ethyl-N-nitrosamino)ethyl phosphate is 105528-06-1.
What is the molecular formula of 1-(N-ethyl-N-nitrosamino)ethyl phosphate?
The molecular formula of 1-(N-ethyl-N-nitrosamino)ethyl phosphate is C4H11N2O5P.
What is the molecular weight of 1-(N-ethyl-N-nitrosamino)ethyl phosphate?
The molecular weight of 1-(N-ethyl-N-nitrosamino)ethyl phosphate is 198.04056 g/mol.
Where can I buy 1-(N-ethyl-N-nitrosamino)ethyl phosphate?
You can request a quote for 1-(N-ethyl-N-nitrosamino)ethyl phosphate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(N-ethyl-N-nitrosamino)ethyl phosphate?
Yes, CoreyChem provides custom synthesis services for 1-(N-ethyl-N-nitrosamino)ethyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.