N,N-Dibutyl-N-methylbutan-1-aminiummethyl(dichloro(diisopropoxyphosphoryl)methyl)phosphonate
TL;DR: N,N-Dibutyl-N-methylbutan-1-aminiummethyl(dichloro(diisopropoxyphosphoryl)methyl)phosphonate (CAS 133917-81-4) is a chemical compound with molecular formula C21H47Cl2NO6P2 and molecular weight 541.2256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[dichloro-di(propan-2-yloxy)phosphorylmethyl]-methoxyphosphinate;tributyl(methyl)azanium
Also Known As: N,N-Dibutyl-N-methylbutan-1-aminiummethyl(dichloro(diisopropoxyphosphoryl)methyl)phosphonate, N,N-Dibutyl-N-methylbutan-1-aminium methyl (dichloro(diisopropoxyphosphoryl)methyl)phosphonate
Technical Specifications
| Molecular Formula | C21H47Cl2NO6P2 |
| Molecular Weight | 541.2256 g/mol |
| XLogP | 7.1515 |
| Topological Polar Surface Area (TPSA) | 84.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 541.2256 Da |
| Heavy Atoms | 32 |
| Complexity | 447.0 |
| SMILES | CCCC[N+](C)(CCCC)CCCC.CC(C)OP(=O)(C(P(=O)([O-])OC)(Cl)Cl)OC(C)C |
| InChIKey | NNORGBNPWULCOJ-UHFFFAOYSA-M |
Chemical Property Profile of N,N-Dibutyl-N-methylbutan-1-aminiummethyl(dichloro(diisopropoxyphosphoryl)methyl)phosphonate
Property Insights of N,N-Dibutyl-N-methylbutan-1-aminiummethyl(dichloro(diisopropoxyphosphoryl)methyl)phosphonate
The XLogP value of 7.1515 indicates that N,N-Dibutyl-N-methylbutan-1-aminiummethyl(dichloro(diisopropoxyphosphoryl)methyl)phosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-Dibutyl-N-methylbutan-1-aminiummethyl(dichloro(diisopropoxyphosphoryl)methyl)phosphonate. Following Lipinski's Rule of Five, N,N-Dibutyl-N-methylbutan-1-aminiummethyl(dichloro(diisopropoxyphosphoryl)methyl)phosphonate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of N,N-Dibutyl-N-methylbutan-1-aminiummethyl(dichloro(diisopropoxyphosphoryl)methyl)phosphonate?
The CAS number of N,N-Dibutyl-N-methylbutan-1-aminiummethyl(dichloro(diisopropoxyphosphoryl)methyl)phosphonate is 133917-81-4.
What is the molecular formula of N,N-Dibutyl-N-methylbutan-1-aminiummethyl(dichloro(diisopropoxyphosphoryl)methyl)phosphonate?
The molecular formula of N,N-Dibutyl-N-methylbutan-1-aminiummethyl(dichloro(diisopropoxyphosphoryl)methyl)phosphonate is C21H47Cl2NO6P2.
What is the molecular weight of N,N-Dibutyl-N-methylbutan-1-aminiummethyl(dichloro(diisopropoxyphosphoryl)methyl)phosphonate?
The molecular weight of N,N-Dibutyl-N-methylbutan-1-aminiummethyl(dichloro(diisopropoxyphosphoryl)methyl)phosphonate is 541.2256 g/mol.
Where can I buy N,N-Dibutyl-N-methylbutan-1-aminiummethyl(dichloro(diisopropoxyphosphoryl)methyl)phosphonate?
You can request a quote for N,N-Dibutyl-N-methylbutan-1-aminiummethyl(dichloro(diisopropoxyphosphoryl)methyl)phosphonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N,N-Dibutyl-N-methylbutan-1-aminiummethyl(dichloro(diisopropoxyphosphoryl)methyl)phosphonate?
Yes, CoreyChem provides custom synthesis services for N,N-Dibutyl-N-methylbutan-1-aminiummethyl(dichloro(diisopropoxyphosphoryl)methyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.