1,3,3-Trinitropyrrolidine
TL;DR: 1,3,3-Trinitropyrrolidine (CAS 383396-95-0) is a chemical compound with molecular formula C4H6N4O6 and molecular weight 206.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,3-trinitropyrrolidine
Also Known As: 1,3,3-trinitropyrrolidine
| Molecular Formula | C4H6N4O6 |
|---|---|
| Molecular Weight | 206.03 g/mol |
| LogP | -0.8665 |
| Topological Polar Surface Area | 132.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.02873 |
| Heavy Atoms | 14 |
| Complexity | 288.20663 |
Chemical Identifiers
| CAS Number | 383396-95-0 |
|---|---|
| SMILES | C1CN(CC1([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1,3,3-Trinitropyrrolidine (CAS 383396-95-0), with molecular formula C4H6N4O6 and molecular weight 206.03 g/mol. IUPAC: 1,3,3-trinitropyrrolidine.
Chemical Property Profile of 1,3,3-Trinitropyrrolidine
Property Insights of 1,3,3-Trinitropyrrolidine
The XLogP value of -0.8665 indicates that 1,3,3-Trinitropyrrolidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 132.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,3-Trinitropyrrolidine. Following Lipinski's Rule of Five, 1,3,3-Trinitropyrrolidine has 0 hydrogen bond donor(s) and 6 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 1,3,3-Trinitropyrrolidine?
The CAS number of 1,3,3-Trinitropyrrolidine is 383396-95-0.
What is the molecular formula of 1,3,3-Trinitropyrrolidine?
The molecular formula of 1,3,3-Trinitropyrrolidine is C4H6N4O6.
What is the molecular weight of 1,3,3-Trinitropyrrolidine?
The molecular weight of 1,3,3-Trinitropyrrolidine is 206.03 g/mol.
Where can I buy 1,3,3-Trinitropyrrolidine?
You can request a quote for 1,3,3-Trinitropyrrolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,3-Trinitropyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for 1,3,3-Trinitropyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.