2-Nitroamino-2-imidazoline
TL;DR: 2-Nitroamino-2-imidazoline (CAS 5465-96-3) is a chemical compound with molecular formula C3H6N4O2 and molecular weight 130.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4,5-dihydro-1H-imidazol-2-yl)nitramide
Also Known As: 2-nitroaminoimidazoline, 2-Nitroamino-2-imidazoline, 2-(Nitroimino)imidazolidine, nitroiminoimidazolidine, 2-nitroiminoimidazolidine
| Molecular Formula | C3H6N4O2 |
|---|---|
| Molecular Weight | 130.05 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 82.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 130.04907 |
| Heavy Atoms | 9 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 5465-96-3 |
|---|---|
| SMILES | C1CN=C(N1)N[N+](=O)[O-] |
| InChIKey | DJZWNSRUEJSEEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Nitroamino-2-imidazoline (CAS 5465-96-3), with molecular formula C3H6N4O2 and molecular weight 130.05 g/mol. IUPAC: N-(4,5-dihydro-1H-imidazol-2-yl)nitramide.
Chemical Property Profile of 2-Nitroamino-2-imidazoline
Property Insights of 2-Nitroamino-2-imidazoline
The XLogP value of -0.8 indicates that 2-Nitroamino-2-imidazoline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitroamino-2-imidazoline. Following Lipinski's Rule of Five, 2-Nitroamino-2-imidazoline 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
Frequently Asked Questions
What is the CAS number of 2-Nitroamino-2-imidazoline?
The CAS number of 2-Nitroamino-2-imidazoline is 5465-96-3.
What is the molecular formula of 2-Nitroamino-2-imidazoline?
The molecular formula of 2-Nitroamino-2-imidazoline is C3H6N4O2.
What is the molecular weight of 2-Nitroamino-2-imidazoline?
The molecular weight of 2-Nitroamino-2-imidazoline is 130.05 g/mol.
Where can I buy 2-Nitroamino-2-imidazoline?
You can request a quote for 2-Nitroamino-2-imidazoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitroamino-2-imidazoline?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitroamino-2-imidazoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.