N-Nitrosobis(2-acetoxypropyl)amine
TL;DR: N-Nitrosobis(2-acetoxypropyl)amine (CAS 60414-81-5) is a chemical compound with molecular formula C10H18N2O5 and molecular weight 246.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-acetyloxypropyl(nitroso)amino]propan-2-yl acetate
Also Known As: N-Nitrosobis(2-acetoxypropyl)amine, Bis(2-acetoxypropyl)nitrosamine, 2-Propanol, 1,1'-(N-nitrosoimino)di-, diacetate, 1-[2-acetyloxypropyl(nitroso)amino]propan-2-yl acetate, 1,1 -(Nitrosoimino)bis(2-propanol acetate)
| Molecular Formula | C10H18N2O5 |
|---|---|
| Molecular Weight | 246.12 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 246.12157 |
| Heavy Atoms | 17 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 60414-81-5 |
|---|---|
| SMILES | CC(CN(CC(C)OC(=O)C)N=O)OC(=O)C |
| InChIKey | VGURJTTWZISZJM-UHFFFAOYSA-N |
Product Overview
N-Nitrosobis(2-acetoxypropyl)amine (CAS 60414-81-5), with molecular formula C10H18N2O5 and molecular weight 246.12 g/mol. IUPAC: 1-[2-acetyloxypropyl(nitroso)amino]propan-2-yl acetate.
Chemical Property Profile of N-Nitrosobis(2-acetoxypropyl)amine
Property Insights of N-Nitrosobis(2-acetoxypropyl)amine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Nitrosobis(2-acetoxypropyl)amine. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Nitrosobis(2-acetoxypropyl)amine. Following Lipinski's Rule of Five, N-Nitrosobis(2-acetoxypropyl)amine has 0 hydrogen bond donor(s) and 7 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-Nitrosobis(2-acetoxypropyl)amine?
The CAS number of N-Nitrosobis(2-acetoxypropyl)amine is 60414-81-5.
What is the molecular formula of N-Nitrosobis(2-acetoxypropyl)amine?
The molecular formula of N-Nitrosobis(2-acetoxypropyl)amine is C10H18N2O5.
What is the molecular weight of N-Nitrosobis(2-acetoxypropyl)amine?
The molecular weight of N-Nitrosobis(2-acetoxypropyl)amine is 246.12 g/mol.
Where can I buy N-Nitrosobis(2-acetoxypropyl)amine?
You can request a quote for N-Nitrosobis(2-acetoxypropyl)amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Nitrosobis(2-acetoxypropyl)amine?
Yes, KEHONG BIO provides custom synthesis services for N-Nitrosobis(2-acetoxypropyl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.