N-乙基氨基甲酸乙酯
TL;DR: N-乙基氨基甲酸乙酯 (CAS 623-78-9) is a chemical compound with molecular formula C5H11NO2 and molecular weight 117.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-乙基氨基甲酸乙酯
ethyl N-ethylcarbamate
Also Known As: Ethyl N-ethylcarbamate, N-Ethylurethane, Ethyl ethylcarbamate, NEthylurethane, Ethyl urethane
| Molecular Formula | C5H11NO2 |
|---|---|
| Molecular Weight | 117.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 117.07898 |
| Heavy Atoms | 8 |
| Complexity | 72.0 |
| Boiling Point | 176 °C AT 760 MM HG |
| Density | 0.9813 AT 20 °C |
| Solubility | SOL IN WATER; VERY SOL IN ALCOHOL, ETHER |
| Vapor Pressure | 4.94 [mmHg] |
Chemical Identifiers
| CAS Number | 623-78-9 |
|---|---|
| SMILES | CCNC(=O)OCC |
| InChIKey | GZXSDYYWLZERLF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-乙基氨基甲酸乙酯 (CAS 623-78-9), with molecular formula C5H11NO2 and molecular weight 117.08 g/mol. IUPAC: ethyl N-ethylcarbamate.
Chemical Property Profile of N-乙基氨基甲酸乙酯
Property Insights of N-乙基氨基甲酸乙酯
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-乙基氨基甲酸乙酯. With a topological polar surface area (TPSA) of 38.3 Ų, N-乙基氨基甲酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-乙基氨基甲酸乙酯 has 1 hydrogen bond donor(s) and 2 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-乙基氨基甲酸乙酯?
The CAS number of N-乙基氨基甲酸乙酯 is 623-78-9.
What is the molecular formula of N-乙基氨基甲酸乙酯?
The molecular formula of N-乙基氨基甲酸乙酯 is C5H11NO2.
What is the molecular weight of N-乙基氨基甲酸乙酯?
The molecular weight of N-乙基氨基甲酸乙酯 is 117.08 g/mol.
Where can I buy N-乙基氨基甲酸乙酯?
You can request a quote for N-乙基氨基甲酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-乙基氨基甲酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for N-乙基氨基甲酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.