N-Nitroso-N-methylurethane
TL;DR: N-Nitroso-N-methylurethane (CAS 615-53-2) is a chemical compound with molecular formula C4H8N2O3 and molecular weight 132.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-methyl-N-nitrosocarbamate
Also Known As: N-Methyl-N-nitrosourethane, N-NITROSO-N-METHYLURETHANE, Methylnitrosourethane, Nitrosomethylurethane, Nm-urethane
| Molecular Formula | C4H8N2O3 |
|---|---|
| Molecular Weight | 132.05 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 132.0535 |
| Heavy Atoms | 9 |
| Complexity | 114.0 |
| Boiling Point | BP: 62-64 °C at 12 mm Hg; 70 °C at 27 mm Hg |
| Density | 1.133 at 20 °C |
| Solubility | Soluble in many common organic solvents |
| Vapor Pressure | 1.18 [mmHg] |
| Refractive Index | 1.43632 at 20 °C |
Chemical Identifiers
| CAS Number | 615-53-2 |
|---|---|
| SMILES | CCOC(=O)N(C)N=O |
| InChIKey | CAUBWLYZCDDYEF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Nitroso-N-methylurethane (CAS 615-53-2), with molecular formula C4H8N2O3 and molecular weight 132.05 g/mol. IUPAC: ethyl N-methyl-N-nitrosocarbamate.
Chemical Property Profile of N-Nitroso-N-methylurethane
Property Insights of N-Nitroso-N-methylurethane
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Nitroso-N-methylurethane. With a topological polar surface area (TPSA) of 59.0 Ų, N-Nitroso-N-methylurethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Nitroso-N-methylurethane 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
Frequently Asked Questions
What is the CAS number of N-Nitroso-N-methylurethane?
The CAS number of N-Nitroso-N-methylurethane is 615-53-2.
What is the molecular formula of N-Nitroso-N-methylurethane?
The molecular formula of N-Nitroso-N-methylurethane is C4H8N2O3.
What is the molecular weight of N-Nitroso-N-methylurethane?
The molecular weight of N-Nitroso-N-methylurethane is 132.05 g/mol.
Where can I buy N-Nitroso-N-methylurethane?
You can request a quote for N-Nitroso-N-methylurethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Nitroso-N-methylurethane?
Yes, KEHONG BIO provides custom synthesis services for N-Nitroso-N-methylurethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.