Benzeneethanamine, alpha,alpha,3-trimethyl-, hydrochloride (1:1)
TL;DR: Benzeneethanamine, alpha,alpha,3-trimethyl-, hydrochloride (1:1) (CAS 64057-71-2) is a chemical compound with molecular formula C11H18ClN and molecular weight 199.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1-(3-methylphenyl)propan-2-amine;hydrochloride
Also Known As: S 68, Phenethylamine, alpha,alpha-dimethyl-m-methyl-, hydrochloride, 2-methyl-1-(3-methylphenyl)propan-2-amine hydrochloride, 2-methyl-1-(3-methylphenyl)propan-2-amine hydrochloride(1:1), Benzeneethanamine, alpha,alpha,3-trimethyl-, hydrochloride (1:1)
| Molecular Formula | C11H18ClN |
|---|---|
| Molecular Weight | 199.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.11278 |
| Heavy Atoms | 13 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 64057-71-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CC(C)(C)N.Cl |
| InChIKey | BHYYPACUOWTGBY-UHFFFAOYSA-N |
Product Overview
Benzeneethanamine, alpha,alpha,3-trimethyl-, hydrochloride (1:1) (CAS 64057-71-2), with molecular formula C11H18ClN and molecular weight 199.11 g/mol. IUPAC: 2-methyl-1-(3-methylphenyl)propan-2-amine;hydrochloride.
Chemical Property Profile of Benzeneethanamine, alpha,alpha,3-trimethyl-, hydrochloride (1:1)
Property Insights of Benzeneethanamine, alpha,alpha,3-trimethyl-, hydrochloride (1:1)
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneethanamine, alpha,alpha,3-trimethyl-, hydrochloride (1:1). With a topological polar surface area (TPSA) of 26.0 Ų, Benzeneethanamine, alpha,alpha,3-trimethyl-, hydrochloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneethanamine, alpha,alpha,3-trimethyl-, hydrochloride (1:1) 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 Benzeneethanamine, alpha,alpha,3-trimethyl-, hydrochloride (1:1)?
The CAS number of Benzeneethanamine, alpha,alpha,3-trimethyl-, hydrochloride (1:1) is 64057-71-2.
What is the molecular formula of Benzeneethanamine, alpha,alpha,3-trimethyl-, hydrochloride (1:1)?
The molecular formula of Benzeneethanamine, alpha,alpha,3-trimethyl-, hydrochloride (1:1) is C11H18ClN.
What is the molecular weight of Benzeneethanamine, alpha,alpha,3-trimethyl-, hydrochloride (1:1)?
The molecular weight of Benzeneethanamine, alpha,alpha,3-trimethyl-, hydrochloride (1:1) is 199.11 g/mol.
Where can I buy Benzeneethanamine, alpha,alpha,3-trimethyl-, hydrochloride (1:1)?
You can request a quote for Benzeneethanamine, alpha,alpha,3-trimethyl-, hydrochloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneethanamine, alpha,alpha,3-trimethyl-, hydrochloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzeneethanamine, alpha,alpha,3-trimethyl-, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.