N-(2-((p-Nitrobenzyl)dithio)ethyl)decylamine monohydrochloride
TL;DR: N-(2-((p-Nitrobenzyl)dithio)ethyl)decylamine monohydrochloride (CAS 13116-78-4) is a chemical compound with molecular formula C19H33ClN2O2S and molecular weight 388.19513 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
decyl-[3-(4-nitro-2-sulfanylphenyl)propyl]azanium chloride
Also Known As: N-(2-((p-Nitrobenzyl)dithio)ethyl)decylamine monohydrochloride, DECYLAMINE, N-(2-((p-NITROBENZYL)DITHIO)ETHYL)-, MONOHYDROCHLORIDE, decyl-[3-(4-nitro-2-sulfanylphenyl)propyl]azanium chloride
Technical Specifications
| Molecular Formula | C19H33ClN2O2S |
| Molecular Weight | 388.19513 g/mol |
| XLogP | 1.52 |
| Topological Polar Surface Area (TPSA) | 63.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 388.19513 Da |
| Heavy Atoms | 25 |
| Complexity | 323.0 |
| SMILES | CCCCCCCCCC[NH2+]CCCC1=C(C=C(C=C1)[N+](=O)[O-])S.[Cl-] |
| InChIKey | IPSITKGEKXLRCF-UHFFFAOYSA-N |
Chemical Property Profile of N-(2-((p-Nitrobenzyl)dithio)ethyl)decylamine monohydrochloride
Property Insights of N-(2-((p-Nitrobenzyl)dithio)ethyl)decylamine monohydrochloride
The XLogP value of 1.52 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-((p-Nitrobenzyl)dithio)ethyl)decylamine monohydrochloride. The TPSA of 63.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-((p-Nitrobenzyl)dithio)ethyl)decylamine monohydrochloride. Following Lipinski's Rule of Five, N-(2-((p-Nitrobenzyl)dithio)ethyl)decylamine monohydrochloride has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(2-((p-Nitrobenzyl)dithio)ethyl)decylamine monohydrochloride?
The CAS number of N-(2-((p-Nitrobenzyl)dithio)ethyl)decylamine monohydrochloride is 13116-78-4.
What is the molecular formula of N-(2-((p-Nitrobenzyl)dithio)ethyl)decylamine monohydrochloride?
The molecular formula of N-(2-((p-Nitrobenzyl)dithio)ethyl)decylamine monohydrochloride is C19H33ClN2O2S.
What is the molecular weight of N-(2-((p-Nitrobenzyl)dithio)ethyl)decylamine monohydrochloride?
The molecular weight of N-(2-((p-Nitrobenzyl)dithio)ethyl)decylamine monohydrochloride is 388.19513 g/mol.
Where can I buy N-(2-((p-Nitrobenzyl)dithio)ethyl)decylamine monohydrochloride?
You can request a quote for N-(2-((p-Nitrobenzyl)dithio)ethyl)decylamine monohydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(2-((p-Nitrobenzyl)dithio)ethyl)decylamine monohydrochloride?
Yes, CoreyChem provides custom synthesis services for N-(2-((p-Nitrobenzyl)dithio)ethyl)decylamine monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.