3,4-二氯-α-甲基苯乙胺
TL;DR: 3,4-二氯-α-甲基苯乙胺 (CAS 4806-87-5) is a chemical compound with molecular formula C9H11Cl2N and molecular weight 203.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-二氯-α-甲基苯乙胺
1-(3,4-dichlorophenyl)propan-2-amine
Also Known As: 3,4-Dichloroamphetamine, 1-(3,4-dichlorophenyl)propan-2-amine, Lilly 21784, 3,4-Dichlorophenyl-2-aminopropane, 3,4-Dichloro-alpha-methylbenzeneethanamine
| Molecular Formula | C9H11Cl2N |
|---|---|
| Molecular Weight | 203.03 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.02686 |
| Heavy Atoms | 12 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 4806-87-5 |
|---|---|
| SMILES | CC(CC1=CC(=C(C=C1)Cl)Cl)N |
| InChIKey | PUFDZMUCDFIRQY-UHFFFAOYSA-N |
Product Overview
3,4-二氯-α-甲基苯乙胺 (CAS 4806-87-5), with molecular formula C9H11Cl2N and molecular weight 203.03 g/mol. IUPAC: 1-(3,4-dichlorophenyl)propan-2-amine.
Chemical Property Profile of 3,4-二氯-α-甲基苯乙胺
Property Insights of 3,4-二氯-α-甲基苯乙胺
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-二氯-α-甲基苯乙胺. With a topological polar surface area (TPSA) of 26.0 Ų, 3,4-二氯-α-甲基苯乙胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-二氯-α-甲基苯乙胺 has 1 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 3,4-二氯-α-甲基苯乙胺?
The CAS number of 3,4-二氯-α-甲基苯乙胺 is 4806-87-5.
What is the molecular formula of 3,4-二氯-α-甲基苯乙胺?
The molecular formula of 3,4-二氯-α-甲基苯乙胺 is C9H11Cl2N.
What is the molecular weight of 3,4-二氯-α-甲基苯乙胺?
The molecular weight of 3,4-二氯-α-甲基苯乙胺 is 203.03 g/mol.
Where can I buy 3,4-二氯-α-甲基苯乙胺?
You can request a quote for 3,4-二氯-α-甲基苯乙胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-二氯-α-甲基苯乙胺?
Yes, KEHONG BIO provides custom synthesis services for 3,4-二氯-α-甲基苯乙胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.