n-Hexyl-N'-nitroguanidine
TL;DR: n-Hexyl-N'-nitroguanidine (CAS 35089-71-5) is a chemical compound with molecular formula C7H16N4O2 and molecular weight 188.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hexyl-1-nitroguanidine
Also Known As: n-Hexyl-N'-nitroguanidine, 2-hexyl-1-nitroguanidine, Guanidine, n-hexyl-N'-nitro-, 1-hexyl-3-nitroguanidine, Guanidine,n-hexyl-N'-nitro
| Molecular Formula | C7H16N4O2 |
|---|---|
| Molecular Weight | 188.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 188.12732 |
| Heavy Atoms | 13 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 35089-71-5 |
|---|---|
| SMILES | CCCCCCN=C(N)N[N+](=O)[O-] |
| InChIKey | XVQKTZOOSZOPAM-UHFFFAOYSA-N |
Product Overview
n-Hexyl-N'-nitroguanidine (CAS 35089-71-5), with molecular formula C7H16N4O2 and molecular weight 188.13 g/mol. IUPAC: 2-hexyl-1-nitroguanidine.
Chemical Property Profile of n-Hexyl-N'-nitroguanidine
Property Insights of n-Hexyl-N'-nitroguanidine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-Hexyl-N'-nitroguanidine. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for n-Hexyl-N'-nitroguanidine. Following Lipinski's Rule of Five, n-Hexyl-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-Hexyl-N'-nitroguanidine?
The CAS number of n-Hexyl-N'-nitroguanidine is 35089-71-5.
What is the molecular formula of n-Hexyl-N'-nitroguanidine?
The molecular formula of n-Hexyl-N'-nitroguanidine is C7H16N4O2.
What is the molecular weight of n-Hexyl-N'-nitroguanidine?
The molecular weight of n-Hexyl-N'-nitroguanidine is 188.13 g/mol.
Where can I buy n-Hexyl-N'-nitroguanidine?
You can request a quote for n-Hexyl-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-Hexyl-N'-nitroguanidine?
Yes, KEHONG BIO provides custom synthesis services for n-Hexyl-N'-nitroguanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.