Phenethylamine, alpha-methyl-p-nitro-, hydrochloride
TL;DR: Phenethylamine, alpha-methyl-p-nitro-, hydrochloride (CAS 13078-86-9) is a chemical compound with molecular formula C9H13ClN2O2 and molecular weight 216.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitrophenyl)propan-2-amine;hydrochloride
Also Known As: alpha-Methyl-p-nitrophenethylamine hydrochloride, 1-(p-Nitrophenyl)-2-propylamine hydrochloride, Phenethylamine, alpha-methyl-p-nitro-, hydrochloride, 1-(4-nitrophenyl)propan-2-amine hydrochloride, Benzeneethanamine, alpha-methyl-4-nitro-, monohydrochloride
| Molecular Formula | C9H13ClN2O2 |
|---|---|
| Molecular Weight | 216.07 g/mol |
| LogP | 1.9063 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.06656 |
| Heavy Atoms | 14 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 13078-86-9 |
|---|---|
| SMILES | CC(CC1=CC=C(C=C1)[N+](=O)[O-])N.Cl |
| InChIKey | HSTFPFCLQRUECF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenethylamine, alpha-methyl-p-nitro-, hydrochloride (CAS 13078-86-9), with molecular formula C9H13ClN2O2 and molecular weight 216.07 g/mol. IUPAC: 1-(4-nitrophenyl)propan-2-amine;hydrochloride.
Chemical Property Profile of Phenethylamine, alpha-methyl-p-nitro-, hydrochloride
Property Insights of Phenethylamine, alpha-methyl-p-nitro-, hydrochloride
The XLogP value of 1.9063 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenethylamine, alpha-methyl-p-nitro-, hydrochloride. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenethylamine, alpha-methyl-p-nitro-, hydrochloride. Following Lipinski's Rule of Five, Phenethylamine, alpha-methyl-p-nitro-, hydrochloride has 2 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 Phenethylamine, alpha-methyl-p-nitro-, hydrochloride?
The CAS number of Phenethylamine, alpha-methyl-p-nitro-, hydrochloride is 13078-86-9.
What is the molecular formula of Phenethylamine, alpha-methyl-p-nitro-, hydrochloride?
The molecular formula of Phenethylamine, alpha-methyl-p-nitro-, hydrochloride is C9H13ClN2O2.
What is the molecular weight of Phenethylamine, alpha-methyl-p-nitro-, hydrochloride?
The molecular weight of Phenethylamine, alpha-methyl-p-nitro-, hydrochloride is 216.07 g/mol.
Where can I buy Phenethylamine, alpha-methyl-p-nitro-, hydrochloride?
You can request a quote for Phenethylamine, alpha-methyl-p-nitro-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenethylamine, alpha-methyl-p-nitro-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Phenethylamine, alpha-methyl-p-nitro-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.