异丙基氨基甲酸酯
TL;DR: 异丙基氨基甲酸酯 (CAS 1746-77-6) 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.
异丙基氨基甲酸酯
propan-2-yl carbamate
Also Known As: ISOPROPYL CARBAMATE, propan-2-yl carbamate, Carbamic Acid Isopropyl Ester, Carbamic acid, 1-methylethyl ester, Isopropyl-N-carbamate
| Molecular Formula | C4H9NO2 |
|---|---|
| Molecular Weight | 103.06 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 103.06333 |
| Heavy Atoms | 7 |
| Complexity | 70.0 |
| Melting Point | 93 °C |
| Boiling Point | 183 °C |
| Density | 0.9951 AT 66 °C |
| Solubility | Very soluble in water, alcohol, and ether. |
| Vapor Pressure | 0.16 [mmHg] |
Chemical Identifiers
| CAS Number | 1746-77-6 |
|---|---|
| SMILES | CC(C)OC(=O)N |
| InChIKey | OVPLZYJGTGDFNB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异丙基氨基甲酸酯 (CAS 1746-77-6), with molecular formula C4H9NO2 and molecular weight 103.06 g/mol. IUPAC: propan-2-yl carbamate.
Chemical Property Profile of 异丙基氨基甲酸酯
Property Insights of 异丙基氨基甲酸酯
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异丙基氨基甲酸酯. With a topological polar surface area (TPSA) of 52.3 Ų, 异丙基氨基甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异丙基氨基甲酸酯 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 异丙基氨基甲酸酯?
The CAS number of 异丙基氨基甲酸酯 is 1746-77-6.
What is the molecular formula of 异丙基氨基甲酸酯?
The molecular formula of 异丙基氨基甲酸酯 is C4H9NO2.
What is the molecular weight of 异丙基氨基甲酸酯?
The molecular weight of 异丙基氨基甲酸酯 is 103.06 g/mol.
Where can I buy 异丙基氨基甲酸酯?
You can request a quote for 异丙基氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异丙基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 异丙基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.