Ethyl N-phenylcarbamate
TL;DR: Ethyl N-phenylcarbamate (CAS 101-99-5) is a chemical compound with molecular formula C9H11NO2 and molecular weight 165.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl N-phenylcarbamate
Also Known As: Phenylurethane, Ethyl phenylcarbamate, N-Phenylurethane, Phenylurethan, ETHYL N-PHENYLCARBAMATE
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H11NO2 |
| Molecular Weight | 165.07898 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 165.07898 Da |
| Heavy Atoms | 12 |
| Complexity | 141.0 |
| Melting Point | 52-53 °C |
| Boiling Point | 238 °C |
| Density | 1.1064 at 20 °C/4 °C |
| Vapor Pressure | 0.02 [mmHg] |
| Refractive Index | Index of refraction: 1.1064 at 20 °C/D: Maximum absorption (alcohol) 235.5 nm (log epsilon=4.23); 274 nm (log epsilon=2.93) |
| Solubility | Slightly soluble in water; freely sol in alcohol, ether |
| SMILES | CCOC(=O)NC1=CC=CC=C1 |
| InChIKey | LBKPGNUOUPTQKA-UHFFFAOYSA-N |
Product Description
Applications: Ethyl N-phenylcarbamate is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Ethyl N-phenylcarbamate (CAS 101-99-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Ethyl N-phenylcarbamate (CAS 101-99-5) is a organic building block with the molecular formula C9H11NO2 and a molecular weight of 165.08 g/mol. Key physical properties include a density of 1.1064 at 20 °C/4 °C g/cm³, a solubility: Slightly soluble in water; freely sol in alcohol, ether. It is also known as Phenylurethane and Ethyl phenylcarbamate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Ethyl N-phenylcarbamate
Property Insights of Ethyl N-phenylcarbamate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl N-phenylcarbamate. With a topological polar surface area (TPSA) of 38.3 Ų, Ethyl N-phenylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl N-phenylcarbamate 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
What is the CAS number of Ethyl N-phenylcarbamate?
The CAS number of Ethyl N-phenylcarbamate is 101-99-5.
What is the molecular formula of Ethyl N-phenylcarbamate?
The molecular formula of Ethyl N-phenylcarbamate is C9H11NO2.
What is the molecular weight of Ethyl N-phenylcarbamate?
The molecular weight of Ethyl N-phenylcarbamate is 165.07898 g/mol.
What are the applications of Ethyl N-phenylcarbamate?
Ethyl N-phenylcarbamate is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Ethyl...
Where can I buy Ethyl N-phenylcarbamate?
You can request a quote for Ethyl N-phenylcarbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl N-phenylcarbamate?
Yes, CoreyChem provides custom synthesis services for Ethyl N-phenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.