2-Bromo-N-(tert-butoxycarbonyl)benzylamine
TL;DR: 2-Bromo-N-(tert-butoxycarbonyl)benzylamine (CAS 162356-90-3) is a chemical compound with molecular formula C12H16BrNO2 and molecular weight 285.03644 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-[(2-bromophenyl)methyl]carbamate
Also Known As: N-Boc-2-bromobenzylamine, tert-butyl 2-bromobenzylcarbamate, tert-butyl N-[(2-bromophenyl)methyl]carbamate, N-(tert-Butoxycarbonyl)-2-bromobenzylamine, Tert-butyl (2-bromobenzyl)carbamate
Technical Specifications
| Molecular Formula | C12H16BrNO2 |
| Molecular Weight | 285.03644 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.03644 Da |
| Heavy Atoms | 16 |
| Complexity | 238.0 |
| SMILES | CC(C)(C)OC(=O)NCC1=CC=CC=C1Br |
| InChIKey | DFNZFCPEUDSNEO-UHFFFAOYSA-N |
Chemical Property Profile of 2-Bromo-N-(tert-butoxycarbonyl)benzylamine
Property Insights of 2-Bromo-N-(tert-butoxycarbonyl)benzylamine
The XLogP value of 3.1 indicates that 2-Bromo-N-(tert-butoxycarbonyl)benzylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 2-Bromo-N-(tert-butoxycarbonyl)benzylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-N-(tert-butoxycarbonyl)benzylamine has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Bromo-N-(tert-butoxycarbonyl)benzylamine?
The CAS number of 2-Bromo-N-(tert-butoxycarbonyl)benzylamine is 162356-90-3.
What is the molecular formula of 2-Bromo-N-(tert-butoxycarbonyl)benzylamine?
The molecular formula of 2-Bromo-N-(tert-butoxycarbonyl)benzylamine is C12H16BrNO2.
What is the molecular weight of 2-Bromo-N-(tert-butoxycarbonyl)benzylamine?
The molecular weight of 2-Bromo-N-(tert-butoxycarbonyl)benzylamine is 285.03644 g/mol.
Where can I buy 2-Bromo-N-(tert-butoxycarbonyl)benzylamine?
You can request a quote for 2-Bromo-N-(tert-butoxycarbonyl)benzylamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Bromo-N-(tert-butoxycarbonyl)benzylamine?
Yes, CoreyChem provides custom synthesis services for 2-Bromo-N-(tert-butoxycarbonyl)benzylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.