N-亚硝基二乙醇胺
TL;DR: N-亚硝基二乙醇胺 (CAS 1116-54-7) is a chemical compound with molecular formula C4H10N2O3 and molecular weight 134.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-亚硝基二乙醇胺
N,N-bis(2-hydroxyethyl)nitrous amide
Also Known As: N-NITROSODIETHANOLAMINE, Ndela, Diethanolnitrosamine, Nitrosodiethanolamine, Diethanolnitrosoamine
| Molecular Formula | C4H10N2O3 |
|---|---|
| Molecular Weight | 134.07 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 73.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 134.06914 |
| Heavy Atoms | 9 |
| Complexity | 72.0 |
| Boiling Point | 113.9 °C at 1.5 mmHg |
| Density | 1.28 |
| Solubility | greater than or equal to 100 mg/mL at 68.9 °F (NTP, 1992) |
| Vapor Pressure | 0.0005 [mmHg] |
| Refractive Index | Max absorption (water): 234 nm (E= 470.7); 345 nm (Log E= 5.3); 1.4540 @ 20 °C |
Chemical Identifiers
| CAS Number | 1116-54-7 |
|---|---|
| SMILES | C(CO)N(CCO)N=O |
| InChIKey | YFCDLVPYFMHRQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-亚硝基二乙醇胺 (CAS 1116-54-7), with molecular formula C4H10N2O3 and molecular weight 134.07 g/mol. IUPAC: N,N-bis(2-hydroxyethyl)nitrous amide.
Chemical Property Profile of N-亚硝基二乙醇胺
Property Insights of N-亚硝基二乙醇胺
The XLogP value of -1.5 indicates that N-亚硝基二乙醇胺 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-亚硝基二乙醇胺. Following Lipinski's Rule of Five, N-亚硝基二乙醇胺 has 2 hydrogen bond donor(s) and 5 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-亚硝基二乙醇胺?
The CAS number of N-亚硝基二乙醇胺 is 1116-54-7.
What is the molecular formula of N-亚硝基二乙醇胺?
The molecular formula of N-亚硝基二乙醇胺 is C4H10N2O3.
What is the molecular weight of N-亚硝基二乙醇胺?
The molecular weight of N-亚硝基二乙醇胺 is 134.07 g/mol.
Where can I buy N-亚硝基二乙醇胺?
You can request a quote for N-亚硝基二乙醇胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-亚硝基二乙醇胺?
Yes, KEHONG BIO provides custom synthesis services for N-亚硝基二乙醇胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.