丙基氨基甲酸酯
TL;DR: 丙基氨基甲酸酯 (CAS 627-12-3) is a chemical compound with molecular formula C4H9NO2 and molecular weight 103.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙基氨基甲酸酯
propyl carbamate
Also Known As: PROPYL CARBAMATE, n-Propyl carbamate, Propylcarbamate, Propyl urethane, N-PROPYLCARBAMATE
| Molecular Formula | C4H9NO2 |
|---|---|
| Molecular Weight | 103.06 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 103.06333 |
| Heavy Atoms | 7 |
| Complexity | 62.0 |
| Melting Point | 60 °C |
| Boiling Point | 196 °C |
| Solubility | SOL IN WATER, ETHANOL & DIETHYL ETHER |
| Vapor Pressure | 1 MM HG @ 52.4 °C |
Chemical Identifiers
| CAS Number | 627-12-3 |
|---|---|
| SMILES | CCCOC(=O)N |
| InChIKey | YNTOKMNHRPSGFU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丙基氨基甲酸酯 (CAS 627-12-3), with molecular formula C4H9NO2 and molecular weight 103.06 g/mol. IUPAC: propyl carbamate.
Chemical Property Profile of 丙基氨基甲酸酯
Property Insights of 丙基氨基甲酸酯
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丙基氨基甲酸酯. With a topological polar surface area (TPSA) of 52.3 Ų, 丙基氨基甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丙基氨基甲酸酯 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 丙基氨基甲酸酯?
The CAS number of 丙基氨基甲酸酯 is 627-12-3.
What is the molecular formula of 丙基氨基甲酸酯?
The molecular formula of 丙基氨基甲酸酯 is C4H9NO2.
What is the molecular weight of 丙基氨基甲酸酯?
The molecular weight of 丙基氨基甲酸酯 is 103.06 g/mol.
Where can I buy 丙基氨基甲酸酯?
You can request a quote for 丙基氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丙基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 丙基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.