N-Nitrosodiethanolamine monoacetate
TL;DR: N-Nitrosodiethanolamine monoacetate (CAS 72909-55-8) is a chemical compound with molecular formula C6H12N2O4 and molecular weight 176.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-hydroxyethyl(nitroso)amino]ethyl acetate
Also Known As: N-Nitrosodiethanolamine monoacetate, Ethanol, 2-((2-(acetyloxy)ethyl)nitrosoamino)-, 2-[2-hydroxyethyl(nitroso)amino]ethyl acetate, 2,2'-(Nitrosoimino)bisethanol monoacetate (ester), acetic acid,N,N-bis(2-hydroxyethyl)nitrous amide
| Molecular Formula | C6H12N2O4 |
|---|---|
| Molecular Weight | 176.08 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 176.07971 |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 72909-55-8 |
|---|---|
| SMILES | CC(=O)OCCN(CCO)N=O |
| InChIKey | LUVVKUCUWPKOAK-UHFFFAOYSA-N |
Product Overview
N-Nitrosodiethanolamine monoacetate (CAS 72909-55-8), with molecular formula C6H12N2O4 and molecular weight 176.08 g/mol. IUPAC: 2-[2-hydroxyethyl(nitroso)amino]ethyl acetate.
Chemical Property Profile of N-Nitrosodiethanolamine monoacetate
Property Insights of N-Nitrosodiethanolamine monoacetate
The XLogP value of -0.6 indicates that N-Nitrosodiethanolamine monoacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Nitrosodiethanolamine monoacetate. Following Lipinski's Rule of Five, N-Nitrosodiethanolamine monoacetate has 1 hydrogen bond donor(s) and 6 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-Nitrosodiethanolamine monoacetate?
The CAS number of N-Nitrosodiethanolamine monoacetate is 72909-55-8.
What is the molecular formula of N-Nitrosodiethanolamine monoacetate?
The molecular formula of N-Nitrosodiethanolamine monoacetate is C6H12N2O4.
What is the molecular weight of N-Nitrosodiethanolamine monoacetate?
The molecular weight of N-Nitrosodiethanolamine monoacetate is 176.08 g/mol.
Where can I buy N-Nitrosodiethanolamine monoacetate?
You can request a quote for N-Nitrosodiethanolamine monoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Nitrosodiethanolamine monoacetate?
Yes, KEHONG BIO provides custom synthesis services for N-Nitrosodiethanolamine monoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.