1-(4-Nitrobenzyl)pyrrolidine
TL;DR: 1-(4-Nitrobenzyl)pyrrolidine (CAS 133851-67-9) is a chemical compound with molecular formula C11H14N2O2 and molecular weight 206.10553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(4-nitrophenyl)methyl]pyrrolidine
Also Known As: 1-(4-Nitrobenzyl)pyrrolidine, 1-[(4-nitrophenyl)methyl]pyrrolidine, 1-(4-nitrobenzyl)-pyrrolidine, 1-(4-nitro-benzyl)-pyrrolidine, N-pyrrolidinyl-4-nitrobenzylamine
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H14N2O2 |
| Molecular Weight | 206.10553 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.10553 Da |
| Heavy Atoms | 15 |
| Complexity | 213.0 |
| SMILES | C1CCN(C1)CC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | YRULNKOFMFLCNV-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Nitrobenzyl)pyrrolidine
Property Insights of 1-(4-Nitrobenzyl)pyrrolidine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Nitrobenzyl)pyrrolidine. With a topological polar surface area (TPSA) of 49.1 Ų, 1-(4-Nitrobenzyl)pyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Nitrobenzyl)pyrrolidine has 0 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 1-(4-Nitrobenzyl)pyrrolidine?
The CAS number of 1-(4-Nitrobenzyl)pyrrolidine is 133851-67-9.
What is the molecular formula of 1-(4-Nitrobenzyl)pyrrolidine?
The molecular formula of 1-(4-Nitrobenzyl)pyrrolidine is C11H14N2O2.
What is the molecular weight of 1-(4-Nitrobenzyl)pyrrolidine?
The molecular weight of 1-(4-Nitrobenzyl)pyrrolidine is 206.10553 g/mol.
Where can I buy 1-(4-Nitrobenzyl)pyrrolidine?
You can request a quote for 1-(4-Nitrobenzyl)pyrrolidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Nitrobenzyl)pyrrolidine?
Yes, CoreyChem provides custom synthesis services for 1-(4-Nitrobenzyl)pyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.