1-Nitropiperazine
TL;DR: 1-Nitropiperazine (CAS 42499-41-2) is a chemical compound with molecular formula C4H9N3O2 and molecular weight 131.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitropiperazine
Also Known As: 1-nitropiperazine, N-Nitropiperazine, N-mononitropiperazine, NSC 243817;, J3.309.859F
| Molecular Formula | C4H9N3O2 |
|---|---|
| Molecular Weight | 131.07 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 131.06947 |
| Heavy Atoms | 9 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 42499-41-2 |
|---|---|
| SMILES | C1CN(CCN1)[N+](=O)[O-] |
| InChIKey | KNZVXSFTGQDAPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Nitropiperazine (CAS 42499-41-2), with molecular formula C4H9N3O2 and molecular weight 131.07 g/mol. IUPAC: 1-nitropiperazine.
Chemical Property Profile of 1-Nitropiperazine
Property Insights of 1-Nitropiperazine
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Nitropiperazine. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Nitropiperazine. Following Lipinski's Rule of Five, 1-Nitropiperazine has 1 hydrogen bond donor(s) and 4 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-Nitropiperazine?
The CAS number of 1-Nitropiperazine is 42499-41-2.
What is the molecular formula of 1-Nitropiperazine?
The molecular formula of 1-Nitropiperazine is C4H9N3O2.
What is the molecular weight of 1-Nitropiperazine?
The molecular weight of 1-Nitropiperazine is 131.07 g/mol.
Where can I buy 1-Nitropiperazine?
You can request a quote for 1-Nitropiperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitropiperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitropiperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.