Methyl(butyroxymethyl)nitrosamine
TL;DR: Methyl(butyroxymethyl)nitrosamine (CAS 67557-56-6) is a chemical compound with molecular formula C6H12N2O3 and molecular weight 160.0848 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[methyl(nitroso)amino]methyl butanoate
Also Known As: Methyl(butyroxymethyl)nitrosamine, NNMB, [methyl(nitroso)amino]methyl butanoate, N-(1-Butyroxymethyl)methylnitrosamine, N-Nitroso-N-(1-butyroxymethyl)methyl amine
Technical Specifications
| Molecular Formula | C6H12N2O3 |
| Molecular Weight | 160.0848 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 160.0848 Da |
| Heavy Atoms | 11 |
| Complexity | 138.0 |
| SMILES | CCCC(=O)OCN(C)N=O |
| InChIKey | QYSCDYCXQPWICC-UHFFFAOYSA-N |
Chemical Property Profile of Methyl(butyroxymethyl)nitrosamine
Property Insights of Methyl(butyroxymethyl)nitrosamine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl(butyroxymethyl)nitrosamine. With a topological polar surface area (TPSA) of 59.0 Ų, Methyl(butyroxymethyl)nitrosamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl(butyroxymethyl)nitrosamine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl(butyroxymethyl)nitrosamine?
The CAS number of Methyl(butyroxymethyl)nitrosamine is 67557-56-6.
What is the molecular formula of Methyl(butyroxymethyl)nitrosamine?
The molecular formula of Methyl(butyroxymethyl)nitrosamine is C6H12N2O3.
What is the molecular weight of Methyl(butyroxymethyl)nitrosamine?
The molecular weight of Methyl(butyroxymethyl)nitrosamine is 160.0848 g/mol.
Where can I buy Methyl(butyroxymethyl)nitrosamine?
You can request a quote for Methyl(butyroxymethyl)nitrosamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl(butyroxymethyl)nitrosamine?
Yes, CoreyChem provides custom synthesis services for Methyl(butyroxymethyl)nitrosamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.