Benzenamine, 3,5-dimethyl-, hydrochloride
TL;DR: Benzenamine, 3,5-dimethyl-, hydrochloride (CAS 85518-76-9) is a chemical compound with molecular formula C8H12ClN and molecular weight 157.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethylaniline;hydrochloride
Also Known As: 3,5-dimethylaniline hydrochloride, 3,5-dimethylphenylamine hydrochloride, Benzenamine, 3,5-dimethyl-, hydrochloride
| Molecular Formula | C8H12ClN |
|---|---|
| Molecular Weight | 157.07 g/mol |
| LogP | 2.30744 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 157.06583 |
| Heavy Atoms | 10 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 85518-76-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N)C.Cl |
| InChIKey | RQBHTTDLFFGKJR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenamine, 3,5-dimethyl-, hydrochloride (CAS 85518-76-9), with molecular formula C8H12ClN and molecular weight 157.07 g/mol. IUPAC: 3,5-dimethylaniline;hydrochloride.
Chemical Property Profile of Benzenamine, 3,5-dimethyl-, hydrochloride
Property Insights of Benzenamine, 3,5-dimethyl-, hydrochloride
The XLogP value of 2.30744 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenamine, 3,5-dimethyl-, hydrochloride. With a topological polar surface area (TPSA) of 26.0 Ų, Benzenamine, 3,5-dimethyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenamine, 3,5-dimethyl-, hydrochloride has 2 hydrogen bond donor(s) and 1 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 Benzenamine, 3,5-dimethyl-, hydrochloride?
The CAS number of Benzenamine, 3,5-dimethyl-, hydrochloride is 85518-76-9.
What is the molecular formula of Benzenamine, 3,5-dimethyl-, hydrochloride?
The molecular formula of Benzenamine, 3,5-dimethyl-, hydrochloride is C8H12ClN.
What is the molecular weight of Benzenamine, 3,5-dimethyl-, hydrochloride?
The molecular weight of Benzenamine, 3,5-dimethyl-, hydrochloride is 157.07 g/mol.
Where can I buy Benzenamine, 3,5-dimethyl-, hydrochloride?
You can request a quote for Benzenamine, 3,5-dimethyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, 3,5-dimethyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, 3,5-dimethyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.