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Diethyl [(methylamino)methyl]phosphonate
TL;DR: Diethyl [(methylamino)methyl]phosphonate (CAS 77225-68-4) is a chemical compound with molecular formula C6H16NO3P and molecular weight 181.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-diethoxyphosphoryl-N-methylmethanamine
Also Known As: diethyl [(methylamino)methyl]phosphonate, diethyl N-methylaminomethylphosphonate, diethyl[(methylamino)methyl]phosphonate, 1-diethoxyphosphoryl-N-methylmethanamine, Diethyl ((methylamino)methyl)phosphonate
| Molecular Formula | C6H16NO3P |
|---|---|
| Molecular Weight | 181.09 g/mol |
| LogP | 1.4294 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 181.08678 |
| Heavy Atoms | 11 |
| Complexity | 116.01465 |
Chemical Identifiers
| CAS Number | 77225-68-4 |
|---|---|
| SMILES | CCOP(=O)(CNC)OCC |
Product Overview
Diethyl [(methylamino)methyl]phosphonate (CAS 77225-68-4), with molecular formula C6H16NO3P and molecular weight 181.09 g/mol. IUPAC: 1-diethoxyphosphoryl-N-methylmethanamine.
Chemical Property Profile of Diethyl [(methylamino)methyl]phosphonate
Property Insights of Diethyl [(methylamino)methyl]phosphonate
The XLogP value of 1.4294 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl [(methylamino)methyl]phosphonate. With a topological polar surface area (TPSA) of 47.56 Ų, Diethyl [(methylamino)methyl]phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl [(methylamino)methyl]phosphonate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diethyl [(methylamino)methyl]phosphonate?
The CAS number of Diethyl [(methylamino)methyl]phosphonate is 77225-68-4.
What is the molecular formula of Diethyl [(methylamino)methyl]phosphonate?
The molecular formula of Diethyl [(methylamino)methyl]phosphonate is C6H16NO3P.
What is the molecular weight of Diethyl [(methylamino)methyl]phosphonate?
The molecular weight of Diethyl [(methylamino)methyl]phosphonate is 181.09 g/mol.
Where can I buy Diethyl [(methylamino)methyl]phosphonate?
You can request a quote for Diethyl [(methylamino)methyl]phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl [(methylamino)methyl]phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl [(methylamino)methyl]phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.