N-亚硝基甲基乙烯胺
TL;DR: N-亚硝基甲基乙烯胺 (CAS 4549-40-0) is a chemical compound with molecular formula C3H6N2O and molecular weight 86.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-亚硝基甲基乙烯胺
N-ethenyl-N-methylnitrous amide
Also Known As: Methylvinylnitrosamine, N-NITROSOMETHYLVINYLAMINE, Methylvinylnitrosoamine, MVNA, NMVA
| Molecular Formula | C3H6N2O |
|---|---|
| Molecular Weight | 86.05 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 86.04801 |
| Heavy Atoms | 6 |
| Complexity | 61.0 |
| Boiling Point | 117 to 47.8 °C at 30 mmHg |
| Solubility | 30000 ppm at 77 °F (NTP, 1992) |
| Vapor Pressure | 8.96 [mmHg] |
| Refractive Index | 1.4920 at 25 °C |
Chemical Identifiers
| CAS Number | 4549-40-0 |
|---|---|
| SMILES | CN(C=C)N=O |
| InChIKey | AWZVYNHQGTZJIH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-亚硝基甲基乙烯胺 (CAS 4549-40-0), with molecular formula C3H6N2O and molecular weight 86.05 g/mol. IUPAC: N-ethenyl-N-methylnitrous amide.
Chemical Property Profile of N-亚硝基甲基乙烯胺
Property Insights of N-亚硝基甲基乙烯胺
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-亚硝基甲基乙烯胺. With a topological polar surface area (TPSA) of 32.7 Ų, N-亚硝基甲基乙烯胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-亚硝基甲基乙烯胺 has 0 hydrogen bond donor(s) and 3 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-亚硝基甲基乙烯胺?
The CAS number of N-亚硝基甲基乙烯胺 is 4549-40-0.
What is the molecular formula of N-亚硝基甲基乙烯胺?
The molecular formula of N-亚硝基甲基乙烯胺 is C3H6N2O.
What is the molecular weight of N-亚硝基甲基乙烯胺?
The molecular weight of N-亚硝基甲基乙烯胺 is 86.05 g/mol.
Where can I buy N-亚硝基甲基乙烯胺?
You can request a quote for N-亚硝基甲基乙烯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-亚硝基甲基乙烯胺?
Yes, KEHONG BIO provides custom synthesis services for N-亚硝基甲基乙烯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.