4-Phenylbutylammonium nitrate
TL;DR: 4-Phenylbutylammonium nitrate (CAS 120375-45-3) is a chemical compound with molecular formula C10H16N2O3 and molecular weight 212.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenylbutylazanium nitrate
Also Known As: 4-Phenylbutylammonium nitrate, 4-phenylbutylazanium nitrate, 4-Phenylbutan-1-aminium nitrate
| Molecular Formula | C10H16N2O3 |
|---|---|
| Molecular Weight | 212.12 g/mol |
| LogP | 1.0121 |
| Topological Polar Surface Area | 90.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.11609 |
| Heavy Atoms | 15 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 120375-45-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCC[NH3+].[N+](=O)([O-])[O-] |
| InChIKey | HPGATYROMRUJIB-UHFFFAOYSA-O |
Product Overview
4-Phenylbutylammonium nitrate (CAS 120375-45-3), with molecular formula C10H16N2O3 and molecular weight 212.12 g/mol. IUPAC: 4-phenylbutylazanium nitrate.
Chemical Property Profile of 4-Phenylbutylammonium nitrate
Property Insights of 4-Phenylbutylammonium nitrate
The XLogP value of 1.0121 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Phenylbutylammonium nitrate. The TPSA of 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Phenylbutylammonium nitrate. Following Lipinski's Rule of Five, 4-Phenylbutylammonium nitrate has 1 hydrogen bond donor(s) and 3 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 4-Phenylbutylammonium nitrate?
The CAS number of 4-Phenylbutylammonium nitrate is 120375-45-3.
What is the molecular formula of 4-Phenylbutylammonium nitrate?
The molecular formula of 4-Phenylbutylammonium nitrate is C10H16N2O3.
What is the molecular weight of 4-Phenylbutylammonium nitrate?
The molecular weight of 4-Phenylbutylammonium nitrate is 212.12 g/mol.
Where can I buy 4-Phenylbutylammonium nitrate?
You can request a quote for 4-Phenylbutylammonium nitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenylbutylammonium nitrate?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenylbutylammonium nitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.