N-Nitroso-N-(acetoxymethyl)-4-chlorobutylamine
TL;DR: N-Nitroso-N-(acetoxymethyl)-4-chlorobutylamine (CAS 312304-89-5) is a chemical compound with molecular formula C7H13ClN2O3 and molecular weight 208.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-chlorobutyl(nitroso)amino]methyl acetate
Also Known As: N-Nitroso-N-(acetoxymethyl)-4-chlorobutylamine, [4-chlorobutyl(nitroso)amino]methyl acetate, (4-Chlorobutyl(nitroso)amino)methyl acetate, N-NITROSO-N- -4-CHLOROBUTYLAMINE, J1.351.112H
| Molecular Formula | C7H13ClN2O3 |
|---|---|
| Molecular Weight | 208.06 g/mol |
| LogP | 1.5094 |
| Topological Polar Surface Area | 58.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 208.06146 |
| Heavy Atoms | 13 |
| Complexity | 165.81665 |
Chemical Identifiers
| CAS Number | 312304-89-5 |
|---|---|
| SMILES | CC(=O)OCN(CCCCCl)N=O |
Product Overview
N-Nitroso-N-(acetoxymethyl)-4-chlorobutylamine (CAS 312304-89-5), with molecular formula C7H13ClN2O3 and molecular weight 208.06 g/mol. IUPAC: [4-chlorobutyl(nitroso)amino]methyl acetate.
Chemical Property Profile of N-Nitroso-N-(acetoxymethyl)-4-chlorobutylamine
Property Insights of N-Nitroso-N-(acetoxymethyl)-4-chlorobutylamine
The XLogP value of 1.5094 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Nitroso-N-(acetoxymethyl)-4-chlorobutylamine. With a topological polar surface area (TPSA) of 58.97 Ų, N-Nitroso-N-(acetoxymethyl)-4-chlorobutylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Nitroso-N-(acetoxymethyl)-4-chlorobutylamine 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)-4-chlorobutylamine?
The CAS number of N-Nitroso-N-(acetoxymethyl)-4-chlorobutylamine is 312304-89-5.
What is the molecular formula of N-Nitroso-N-(acetoxymethyl)-4-chlorobutylamine?
The molecular formula of N-Nitroso-N-(acetoxymethyl)-4-chlorobutylamine is C7H13ClN2O3.
What is the molecular weight of N-Nitroso-N-(acetoxymethyl)-4-chlorobutylamine?
The molecular weight of N-Nitroso-N-(acetoxymethyl)-4-chlorobutylamine is 208.06 g/mol.
Where can I buy N-Nitroso-N-(acetoxymethyl)-4-chlorobutylamine?
You can request a quote for N-Nitroso-N-(acetoxymethyl)-4-chlorobutylamine 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)-4-chlorobutylamine?
Yes, KEHONG BIO provides custom synthesis services for N-Nitroso-N-(acetoxymethyl)-4-chlorobutylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.