N-Phenyl-beta-bromoethylamine hydrobromide
TL;DR: N-Phenyl-beta-bromoethylamine hydrobromide (CAS 1005-66-9) is a chemical compound with molecular formula C8H11Br2N and molecular weight 278.9258 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromoethyl(phenyl)azanium bromide
Also Known As: N-(2-Bromoethyl)anilinium bromide, N-(2-Bromoethyl)aniline hydrobromide, 2-Bromoethyl-phenylazanium bromide, N-Phenyl-beta-bromoethylamine hydrobromide, 2-bromoethyl(phenyl)azanium bromide
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H11Br2N |
| Molecular Weight | 278.9258 g/mol |
| XLogP | -1.72 |
| Topological Polar Surface Area (TPSA) | 16.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.92377 Da |
| Heavy Atoms | 11 |
| Complexity | 79.0 |
| SMILES | C1=CC=C(C=C1)[NH2+]CCBr.[Br-] |
| InChIKey | MXNALQRSXHOIEA-UHFFFAOYSA-N |
Chemical Property Profile of N-Phenyl-beta-bromoethylamine hydrobromide
Property Insights of N-Phenyl-beta-bromoethylamine hydrobromide
The XLogP value of -1.72 indicates that N-Phenyl-beta-bromoethylamine hydrobromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 16.6 Ų, N-Phenyl-beta-bromoethylamine hydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Phenyl-beta-bromoethylamine hydrobromide 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
What is the CAS number of N-Phenyl-beta-bromoethylamine hydrobromide?
The CAS number of N-Phenyl-beta-bromoethylamine hydrobromide is 1005-66-9.
What is the molecular formula of N-Phenyl-beta-bromoethylamine hydrobromide?
The molecular formula of N-Phenyl-beta-bromoethylamine hydrobromide is C8H11Br2N.
What is the molecular weight of N-Phenyl-beta-bromoethylamine hydrobromide?
The molecular weight of N-Phenyl-beta-bromoethylamine hydrobromide is 278.9258 g/mol.
Where can I buy N-Phenyl-beta-bromoethylamine hydrobromide?
You can request a quote for N-Phenyl-beta-bromoethylamine hydrobromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-Phenyl-beta-bromoethylamine hydrobromide?
Yes, CoreyChem provides custom synthesis services for N-Phenyl-beta-bromoethylamine hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.