N-Butyl-N'-nitroguanidine
TL;DR: N-Butyl-N'-nitroguanidine (CAS 5458-83-3) is a chemical compound with molecular formula C5H12N4O2 and molecular weight 160.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-1-nitroguanidine
Also Known As: 2-butyl-1-nitroguanidine, Guanidine, N-butyl-N'-nitro-, Butyl-nitroguanidin, N-Butyl-N'-nitroguanidine, 1-Butyl-3-nitroguanidine
| Molecular Formula | C5H12N4O2 |
|---|---|
| Molecular Weight | 160.10 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 160.09602 |
| Heavy Atoms | 11 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 5458-83-3 |
|---|---|
| SMILES | CCCCN=C(N)N[N+](=O)[O-] |
| InChIKey | KPQHRDFCWBWTBA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Butyl-N'-nitroguanidine (CAS 5458-83-3), with molecular formula C5H12N4O2 and molecular weight 160.10 g/mol. IUPAC: 2-butyl-1-nitroguanidine.
Chemical Property Profile of N-Butyl-N'-nitroguanidine
Property Insights of N-Butyl-N'-nitroguanidine
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Butyl-N'-nitroguanidine. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Butyl-N'-nitroguanidine. Following Lipinski's Rule of Five, N-Butyl-N'-nitroguanidine 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 N-Butyl-N'-nitroguanidine?
The CAS number of N-Butyl-N'-nitroguanidine is 5458-83-3.
What is the molecular formula of N-Butyl-N'-nitroguanidine?
The molecular formula of N-Butyl-N'-nitroguanidine is C5H12N4O2.
What is the molecular weight of N-Butyl-N'-nitroguanidine?
The molecular weight of N-Butyl-N'-nitroguanidine is 160.10 g/mol.
Where can I buy N-Butyl-N'-nitroguanidine?
You can request a quote for N-Butyl-N'-nitroguanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Butyl-N'-nitroguanidine?
Yes, KEHONG BIO provides custom synthesis services for N-Butyl-N'-nitroguanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.