tert-butyl N-(azepan-4-yl)carbamate
TL;DR: tert-butyl N-(azepan-4-yl)carbamate (CAS 1447823-06-4) is a chemical compound with molecular formula C11H22N2O2 and molecular weight 214.16812 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-(azepan-4-yl)carbamate
Also Known As: tert-butyl azepan-4-ylcarbamate, Tert-butyl N-(azepan-4-yl)carbamate, null, Boc-4-aminohexahydro-4H-azepine, 4-(N-Boc-amino)-1H-Azepine
Technical Specifications
| Molecular Formula | C11H22N2O2 |
| Molecular Weight | 214.16812 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 50.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.16812 Da |
| Heavy Atoms | 15 |
| Complexity | 211.0 |
| SMILES | CC(C)(C)OC(=O)NC1CCCNCC1 |
| InChIKey | MIYUNZAWHSSBPU-UHFFFAOYSA-N |
Chemical Property Profile of tert-butyl N-(azepan-4-yl)carbamate
Property Insights of tert-butyl N-(azepan-4-yl)carbamate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl N-(azepan-4-yl)carbamate. With a topological polar surface area (TPSA) of 50.4 Ų, tert-butyl N-(azepan-4-yl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-butyl N-(azepan-4-yl)carbamate has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of tert-butyl N-(azepan-4-yl)carbamate?
The CAS number of tert-butyl N-(azepan-4-yl)carbamate is 1447823-06-4.
What is the molecular formula of tert-butyl N-(azepan-4-yl)carbamate?
The molecular formula of tert-butyl N-(azepan-4-yl)carbamate is C11H22N2O2.
What is the molecular weight of tert-butyl N-(azepan-4-yl)carbamate?
The molecular weight of tert-butyl N-(azepan-4-yl)carbamate is 214.16812 g/mol.
Where can I buy tert-butyl N-(azepan-4-yl)carbamate?
You can request a quote for tert-butyl N-(azepan-4-yl)carbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for tert-butyl N-(azepan-4-yl)carbamate?
Yes, CoreyChem provides custom synthesis services for tert-butyl N-(azepan-4-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.