N-甲基吡咯烷酮
TL;DR: N-甲基吡咯烷酮 (CAS 872-50-4) is a chemical compound with molecular formula C5H9NO and molecular weight 99.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-甲基吡咯烷酮
1-methylpyrrolidin-2-one
Also Known As: N-Methylpyrrolidone, 1-METHYL-2-PYRROLIDINONE, N-Methyl-2-pyrrolidone, 1-methylpyrrolidin-2-one, Methylpyrrolidone
| Molecular Formula | C5H9NO |
|---|---|
| Molecular Weight | 99.07 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 99.06841 |
| Heavy Atoms | 7 |
| Complexity | 90.0 |
| Melting Point | -22.8 °C |
| Boiling Point | 202.2 °C at 760 mmHg |
| Density | 1.03 at 25.0 °C |
| Solubility | greater than or equal to 100 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | 95.6 °C |
| Vapor Pressure | 0.34 [mmHg] |
| Refractive Index | MAX ABSORPTION (METHANOL): 205 NM (LOG E= 3.46); 1.4684 AT 20 °C; SADTLER REFERENCE NUMBER: 6528 (IR, PRISM); 116 (VARIAN, NMR) |
| GHS Signal | Danger |
| H-Statements | H315, H319, H335, H360D |
Chemical Identifiers
| CAS Number | 872-50-4 |
|---|---|
| SMILES | CN1CCCC1=O |
| InChIKey | SECXISVLQFMRJM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-甲基吡咯烷酮 (CAS 872-50-4), with molecular formula C5H9NO and molecular weight 99.07 g/mol. IUPAC: 1-methylpyrrolidin-2-one.
Chemical Property Profile of N-甲基吡咯烷酮
Property Insights of N-甲基吡咯烷酮
The XLogP value of -0.5 indicates that N-甲基吡咯烷酮 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 20.3 Ų, N-甲基吡咯烷酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-甲基吡咯烷酮 has 0 hydrogen bond donor(s) and 1 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 N-甲基吡咯烷酮?
The CAS number of N-甲基吡咯烷酮 is 872-50-4.
What is the molecular formula of N-甲基吡咯烷酮?
The molecular formula of N-甲基吡咯烷酮 is C5H9NO.
What is the molecular weight of N-甲基吡咯烷酮?
The molecular weight of N-甲基吡咯烷酮 is 99.07 g/mol.
Where can I buy N-甲基吡咯烷酮?
You can request a quote for N-甲基吡咯烷酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-甲基吡咯烷酮?
Yes, KEHONG BIO provides custom synthesis services for N-甲基吡咯烷酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.