Acetic acid, propylnitrosaminomethyl ester
TL;DR: Acetic acid, propylnitrosaminomethyl ester (CAS 66017-91-2) is a chemical compound with molecular formula C6H12N2O3 and molecular weight 160.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[nitroso(propyl)amino]methyl acetate
Also Known As: PAMN, Acetoxymethylpropylnitrosamine, Propyl acetoxymethylnitrosamine, Propylnitrosaminomethyl acetate, N-Propyl-N-(acetoxymethyl)nitrosamine
| Molecular Formula | C6H12N2O3 |
|---|---|
| Molecular Weight | 160.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 160.0848 |
| Heavy Atoms | 11 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 66017-91-2 |
|---|---|
| SMILES | CCCN(COC(=O)C)N=O |
| InChIKey | UNJDFDOOIZHAPH-UHFFFAOYSA-N |
Product Overview
Acetic acid, propylnitrosaminomethyl ester (CAS 66017-91-2), with molecular formula C6H12N2O3 and molecular weight 160.08 g/mol. IUPAC: [nitroso(propyl)amino]methyl acetate.
Chemical Property Profile of Acetic acid, propylnitrosaminomethyl ester
Property Insights of Acetic acid, propylnitrosaminomethyl ester
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, propylnitrosaminomethyl ester. With a topological polar surface area (TPSA) of 59.0 Ų, Acetic acid, propylnitrosaminomethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, propylnitrosaminomethyl ester 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 Acetic acid, propylnitrosaminomethyl ester?
The CAS number of Acetic acid, propylnitrosaminomethyl ester is 66017-91-2.
What is the molecular formula of Acetic acid, propylnitrosaminomethyl ester?
The molecular formula of Acetic acid, propylnitrosaminomethyl ester is C6H12N2O3.
What is the molecular weight of Acetic acid, propylnitrosaminomethyl ester?
The molecular weight of Acetic acid, propylnitrosaminomethyl ester is 160.08 g/mol.
Where can I buy Acetic acid, propylnitrosaminomethyl ester?
You can request a quote for Acetic acid, propylnitrosaminomethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, propylnitrosaminomethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, propylnitrosaminomethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.