4-Bromo-alpha-methylbenzeneethanamine
TL;DR: 4-Bromo-alpha-methylbenzeneethanamine (CAS 869567-02-2) is a chemical compound with molecular formula C9H12BrN and molecular weight 213.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-Bromo-alpha-methylbenzeneethanamine
1-(4-bromophenyl)propan-2-amine
Also Known As: 1-(4-bromophenyl)propan-2-amine, Para-Bromoamphetamine, 4-bromoamphetamine, 4-Ba, 1-(4-Bromobenzyl)ethylamine
| Molecular Formula | C9H12BrN |
|---|---|
| Molecular Weight | 213.02 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.0153 |
| Heavy Atoms | 11 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 869567-02-2 |
|---|---|
| SMILES | CC(CC1=CC=C(C=C1)Br)N |
| InChIKey | SMNXUMMCCOZPPN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromo-alpha-methylbenzeneethanamine (CAS 869567-02-2), with molecular formula C9H12BrN and molecular weight 213.02 g/mol. IUPAC: 1-(4-bromophenyl)propan-2-amine.
Chemical Property Profile of 4-Bromo-alpha-methylbenzeneethanamine
Property Insights of 4-Bromo-alpha-methylbenzeneethanamine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-alpha-methylbenzeneethanamine. With a topological polar surface area (TPSA) of 26.0 Ų, 4-Bromo-alpha-methylbenzeneethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-溴-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 4-溴-α-甲基苯乙胺?
The CAS number of 4-溴-α-甲基苯乙胺 is 869567-02-2.
What is the molecular formula of 4-溴-α-甲基苯乙胺?
The molecular formula of 4-溴-α-甲基苯乙胺 is C9H12BrN.
What is the molecular weight of 4-溴-α-甲基苯乙胺?
The molecular weight of 4-溴-α-甲基苯乙胺 is 213.02 g/mol.
Where can I buy 4-溴-α-甲基苯乙胺?
You can request a quote for 4-溴-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 4-溴-α-甲基苯乙胺?
Yes, KEHONG BIO provides custom synthesis services for 4-溴-α-甲基苯乙胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.