Ethyl N-nitrocarbamate
TL;DR: Ethyl N-nitrocarbamate (CAS 626-37-9) is a chemical compound with molecular formula C3H6N2O4 and molecular weight 134.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-nitrocarbamate
Also Known As: Ethyl N-nitrocarbamate, nitrourethane, Nitrourethan, ethyl nitrocarbamate, N-nitro(ethyl carbamate)
| Molecular Formula | C3H6N2O4 |
|---|---|
| Molecular Weight | 134.03 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 134.03276 |
| Heavy Atoms | 9 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 626-37-9 |
|---|---|
| SMILES | CCOC(=O)N[N+](=O)[O-] |
| InChIKey | YSJKYAHYBFJVKV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl N-nitrocarbamate (CAS 626-37-9), with molecular formula C3H6N2O4 and molecular weight 134.03 g/mol. IUPAC: ethyl N-nitrocarbamate.
Chemical Property Profile of Ethyl N-nitrocarbamate
Property Insights of Ethyl N-nitrocarbamate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl N-nitrocarbamate. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl N-nitrocarbamate. Following Lipinski's Rule of Five, Ethyl N-nitrocarbamate 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 Ethyl N-nitrocarbamate?
The CAS number of Ethyl N-nitrocarbamate is 626-37-9.
What is the molecular formula of Ethyl N-nitrocarbamate?
The molecular formula of Ethyl N-nitrocarbamate is C3H6N2O4.
What is the molecular weight of Ethyl N-nitrocarbamate?
The molecular weight of Ethyl N-nitrocarbamate is 134.03 g/mol.
Where can I buy Ethyl N-nitrocarbamate?
You can request a quote for Ethyl N-nitrocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl N-nitrocarbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl N-nitrocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.