Benzeneethanamine, 3,4-dichloro-alpha-methyl-, hydrochloride (1:1)
TL;DR: Benzeneethanamine, 3,4-dichloro-alpha-methyl-, hydrochloride (1:1) (CAS 6229-86-3) is a chemical compound with molecular formula C9H12Cl3N and molecular weight 239.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dichlorophenyl)propan-2-amine;hydrochloride
Also Known As: dl-m,p-Dicloro-alpha-metilfenetilamina HCl, 3,4-Dichloro-alpha-methylbenzeneethanamine hydrochloride, dl-m,p-Dicloro-alpha-metilfenetilamina HCl [Italian], 3,4-DICHLOROPHENYL-2-AMINOPROPANE HYDROCHLORIDE, dl-3,4-Dichloro-alpha-methylphenethylamine hydrochloride
| Molecular Formula | C9H12Cl3N |
|---|---|
| Molecular Weight | 239.00 g/mol |
| LogP | 3.3049 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.00352 |
| Heavy Atoms | 13 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 6229-86-3 |
|---|---|
| SMILES | CC(CC1=CC(=C(C=C1)Cl)Cl)N.Cl |
| InChIKey | OFHUVEDFQIRAKY-UHFFFAOYSA-N |
Product Overview
Benzeneethanamine, 3,4-dichloro-alpha-methyl-, hydrochloride (1:1) (CAS 6229-86-3), with molecular formula C9H12Cl3N and molecular weight 239.00 g/mol. IUPAC: 1-(3,4-dichlorophenyl)propan-2-amine;hydrochloride.
Chemical Property Profile of Benzeneethanamine, 3,4-dichloro-alpha-methyl-, hydrochloride (1:1)
Property Insights of Benzeneethanamine, 3,4-dichloro-alpha-methyl-, hydrochloride (1:1)
The XLogP value of 3.3049 indicates that Benzeneethanamine, 3,4-dichloro-alpha-methyl-, hydrochloride (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, Benzeneethanamine, 3,4-dichloro-alpha-methyl-, hydrochloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneethanamine, 3,4-dichloro-alpha-methyl-, 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, 3,4-dichloro-alpha-methyl-, hydrochloride (1:1)?
The CAS number of Benzeneethanamine, 3,4-dichloro-alpha-methyl-, hydrochloride (1:1) is 6229-86-3.
What is the molecular formula of Benzeneethanamine, 3,4-dichloro-alpha-methyl-, hydrochloride (1:1)?
The molecular formula of Benzeneethanamine, 3,4-dichloro-alpha-methyl-, hydrochloride (1:1) is C9H12Cl3N.
What is the molecular weight of Benzeneethanamine, 3,4-dichloro-alpha-methyl-, hydrochloride (1:1)?
The molecular weight of Benzeneethanamine, 3,4-dichloro-alpha-methyl-, hydrochloride (1:1) is 239.00 g/mol.
Where can I buy Benzeneethanamine, 3,4-dichloro-alpha-methyl-, hydrochloride (1:1)?
You can request a quote for Benzeneethanamine, 3,4-dichloro-alpha-methyl-, 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, 3,4-dichloro-alpha-methyl-, hydrochloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzeneethanamine, 3,4-dichloro-alpha-methyl-, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.