N-Nitroso-N-(acetoxymethyl)-2-chloroethylamine
TL;DR: N-Nitroso-N-(acetoxymethyl)-2-chloroethylamine (CAS 76215-00-4) is a chemical compound with molecular formula C5H9ClN2O3 and molecular weight 180.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-chloroethyl(nitroso)amino]methyl acetate
Also Known As: N-Nitroso-N-(acetoxymethyl)-2-chloroethylamine, (2-chloroethyl-nitrosoamino)methyl acetate, [2-chloroethyl(nitroso)amino]methyl acetate, ((2-chloroethyl)(nitroso)amino)methyl acetate, J1.351.114D
| Molecular Formula | C5H9ClN2O3 |
|---|---|
| Molecular Weight | 180.03 g/mol |
| LogP | 0.7292 |
| Topological Polar Surface Area | 58.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 180.03017 |
| Heavy Atoms | 11 |
| Complexity | 141.68922 |
Chemical Identifiers
| CAS Number | 76215-00-4 |
|---|---|
| SMILES | CC(=O)OCN(CCCl)N=O |
Product Overview
N-Nitroso-N-(acetoxymethyl)-2-chloroethylamine (CAS 76215-00-4), with molecular formula C5H9ClN2O3 and molecular weight 180.03 g/mol. IUPAC: [2-chloroethyl(nitroso)amino]methyl acetate.
Chemical Property Profile of N-Nitroso-N-(acetoxymethyl)-2-chloroethylamine
Property Insights of N-Nitroso-N-(acetoxymethyl)-2-chloroethylamine
The XLogP value of 0.7292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Nitroso-N-(acetoxymethyl)-2-chloroethylamine. With a topological polar surface area (TPSA) of 58.97 Ų, N-Nitroso-N-(acetoxymethyl)-2-chloroethylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Nitroso-N-(acetoxymethyl)-2-chloroethylamine has 0 hydrogen bond donor(s) and 4 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-Nitroso-N-(acetoxymethyl)-2-chloroethylamine?
The CAS number of N-Nitroso-N-(acetoxymethyl)-2-chloroethylamine is 76215-00-4.
What is the molecular formula of N-Nitroso-N-(acetoxymethyl)-2-chloroethylamine?
The molecular formula of N-Nitroso-N-(acetoxymethyl)-2-chloroethylamine is C5H9ClN2O3.
What is the molecular weight of N-Nitroso-N-(acetoxymethyl)-2-chloroethylamine?
The molecular weight of N-Nitroso-N-(acetoxymethyl)-2-chloroethylamine is 180.03 g/mol.
Where can I buy N-Nitroso-N-(acetoxymethyl)-2-chloroethylamine?
You can request a quote for N-Nitroso-N-(acetoxymethyl)-2-chloroethylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Nitroso-N-(acetoxymethyl)-2-chloroethylamine?
Yes, KEHONG BIO provides custom synthesis services for N-Nitroso-N-(acetoxymethyl)-2-chloroethylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.