氨基甲酸甲酯
TL;DR: 氨基甲酸甲酯 (CAS 598-55-0) is a chemical compound with molecular formula C2H5NO2 and molecular weight 75.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氨基甲酸甲酯
methyl carbamate
Also Known As: METHYL CARBAMATE, Urethylane, Methylcarbamate, Methylurethane, Methylurethan
| Molecular Formula | C2H5NO2 |
|---|---|
| Molecular Weight | 75.03 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 75.03203 |
| Heavy Atoms | 5 |
| Complexity | 42.0 |
| Melting Point | 53.9 °C |
| Boiling Point | 177.2 °C at 760 mmHg |
| Density | 1.1361 at 56.1 °C |
| Solubility | greater than or equal to 100 mg/mL at 66 °F (NTP, 1992) |
| Vapor Pressure | 0.56 [mmHg] |
| Refractive Index | 1.4125 @ 56 °C |
Chemical Identifiers
| CAS Number | 598-55-0 |
|---|---|
| SMILES | COC(=O)N |
| InChIKey | GTCAXTIRRLKXRU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氨基甲酸甲酯 (CAS 598-55-0), with molecular formula C2H5NO2 and molecular weight 75.03 g/mol. IUPAC: methyl carbamate.
Chemical Property Profile of 氨基甲酸甲酯
Property Insights of 氨基甲酸甲酯
The XLogP value of -0.7 indicates that 氨基甲酸甲酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.3 Ų, 氨基甲酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氨基甲酸甲酯 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 氨基甲酸甲酯?
The CAS number of 氨基甲酸甲酯 is 598-55-0.
What is the molecular formula of 氨基甲酸甲酯?
The molecular formula of 氨基甲酸甲酯 is C2H5NO2.
What is the molecular weight of 氨基甲酸甲酯?
The molecular weight of 氨基甲酸甲酯 is 75.03 g/mol.
Where can I buy 氨基甲酸甲酯?
You can request a quote for 氨基甲酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氨基甲酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 氨基甲酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.