(1-Acetoxypropyl)propylnitrosamine
TL;DR: (1-Acetoxypropyl)propylnitrosamine (CAS 53198-41-7) is a chemical compound with molecular formula C8H16N2O3 and molecular weight 188.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[nitroso(propyl)amino]propyl acetate
Also Known As: propylnitrosamine, (1-Acetoxypropyl)propylnitrosamine, 1-[nitroso(propyl)amino]propyl acetate, 1-Acetoxy-N-nitrosodipropylamine, 1-(Propylnitrosamino)propyl acetate
| Molecular Formula | C8H16N2O3 |
|---|---|
| Molecular Weight | 188.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 188.11609 |
| Heavy Atoms | 13 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 53198-41-7 |
|---|---|
| SMILES | CCCN(C(CC)OC(=O)C)N=O |
| InChIKey | JATZSOMQDHRXML-UHFFFAOYSA-N |
Product Overview
(1-Acetoxypropyl)propylnitrosamine (CAS 53198-41-7), with molecular formula C8H16N2O3 and molecular weight 188.12 g/mol. IUPAC: 1-[nitroso(propyl)amino]propyl acetate.
Chemical Property Profile of (1-Acetoxypropyl)propylnitrosamine
Property Insights of (1-Acetoxypropyl)propylnitrosamine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-Acetoxypropyl)propylnitrosamine. With a topological polar surface area (TPSA) of 59.0 Ų, (1-Acetoxypropyl)propylnitrosamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Acetoxypropyl)propylnitrosamine has 0 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 (1-Acetoxypropyl)propylnitrosamine?
The CAS number of (1-Acetoxypropyl)propylnitrosamine is 53198-41-7.
What is the molecular formula of (1-Acetoxypropyl)propylnitrosamine?
The molecular formula of (1-Acetoxypropyl)propylnitrosamine is C8H16N2O3.
What is the molecular weight of (1-Acetoxypropyl)propylnitrosamine?
The molecular weight of (1-Acetoxypropyl)propylnitrosamine is 188.12 g/mol.
Where can I buy (1-Acetoxypropyl)propylnitrosamine?
You can request a quote for (1-Acetoxypropyl)propylnitrosamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Acetoxypropyl)propylnitrosamine?
Yes, KEHONG BIO provides custom synthesis services for (1-Acetoxypropyl)propylnitrosamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.