N-亚硝基二乙胺
TL;DR: N-亚硝基二乙胺 (CAS 55-18-5) is a chemical compound with molecular formula C4H10N2O and molecular weight 102.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-亚硝基二乙胺
N,N-diethylnitrous amide
Also Known As: N-NITROSODIETHYLAMINE, Diethylnitrosamine, NDEA, Diethylnitrosoamine, Nitrosodiethylamine
| Molecular Formula | C4H10N2O |
|---|---|
| Molecular Weight | 102.08 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 102.079315 |
| Heavy Atoms | 7 |
| Complexity | 51.0 |
| Boiling Point | 177.2 °C at 760 mmHg |
| Density | 0.9422 at 20.0 °C - Less dense than water; will float |
| Solubility | greater than or equal to 100 mg/mL at 70 °F (NTP, 1992) |
| Flash Point | 62.8 °C |
| Vapor Pressure | 5.7 mmHg at 25.0 °C ; 8.8 mmHg at 34.5 °C |
| Refractive Index | 1.4386 at 20 °C |
Chemical Identifiers
| CAS Number | 55-18-5 |
|---|---|
| SMILES | CCN(CC)N=O |
| InChIKey | WBNQDOYYEUMPFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-亚硝基二乙胺 (CAS 55-18-5), with molecular formula C4H10N2O and molecular weight 102.08 g/mol. IUPAC: N,N-diethylnitrous amide.
Chemical Property Profile of N-亚硝基二乙胺
Property Insights of N-亚硝基二乙胺
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-亚硝基二乙胺. With a topological polar surface area (TPSA) of 32.7 Ų, N-亚硝基二乙胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-亚硝基二乙胺 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-亚硝基二乙胺?
The CAS number of N-亚硝基二乙胺 is 55-18-5.
What is the molecular formula of N-亚硝基二乙胺?
The molecular formula of N-亚硝基二乙胺 is C4H10N2O.
What is the molecular weight of N-亚硝基二乙胺?
The molecular weight of N-亚硝基二乙胺 is 102.08 g/mol.
Where can I buy N-亚硝基二乙胺?
You can request a quote for N-亚硝基二乙胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-亚硝基二乙胺?
Yes, KEHONG BIO provides custom synthesis services for N-亚硝基二乙胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.