異氰酸甲酯
TL;DR: 異氰酸甲酯 (CAS 624-83-9) is a chemical compound with molecular formula C2H3NO and molecular weight 57.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
異氰酸甲酯
methylimino(oxo)methane
Also Known As: METHYL ISOCYANATE, Isocyanatomethane, methylisocyanate, Methyl carbonimide, Methane, isocyanato-
| Molecular Formula | C2H3NO |
|---|---|
| Molecular Weight | 57.02 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 57.021465 |
| Heavy Atoms | 4 |
| Complexity | 44.0 |
| Melting Point | -80.0 °C |
| Boiling Point | 38.9 °C at 760 mmHg |
| Density | 0.9599 at 20.0 °C - Less dense than water; will float |
| Solubility | Decomposes (NTP, 1992) |
| Flash Point | -7.2 °C |
| Vapor Pressure | 348 mmHg at 20.0 °C |
| Refractive Index | = 1.3419 at 18 °C |
Chemical Identifiers
| CAS Number | 624-83-9 |
|---|---|
| SMILES | CN=C=O |
| InChIKey | HAMGRBXTJNITHG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
異氰酸甲酯 (CAS 624-83-9), with molecular formula C2H3NO and molecular weight 57.02 g/mol. IUPAC: methylimino(oxo)methane.
Chemical Property Profile of 異氰酸甲酯
Property Insights of 異氰酸甲酯
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 異氰酸甲酯. With a topological polar surface area (TPSA) of 29.4 Ų, 異氰酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 異氰酸甲酯 has 0 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 異氰酸甲酯?
The CAS number of 異氰酸甲酯 is 624-83-9.
What is the molecular formula of 異氰酸甲酯?
The molecular formula of 異氰酸甲酯 is C2H3NO.
What is the molecular weight of 異氰酸甲酯?
The molecular weight of 異氰酸甲酯 is 57.02 g/mol.
Where can I buy 異氰酸甲酯?
You can request a quote for 異氰酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 異氰酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 異氰酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.