N-((3-Nitrophenyl)methyl)guanidine
TL;DR: N-((3-Nitrophenyl)methyl)guanidine (CAS 93338-63-7) is a chemical compound with molecular formula C8H10N4O2 and molecular weight 194.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-nitrophenyl)methyl]guanidine
Also Known As: 3-Nitrobenzylguanidine, meta-Nitrobenzylguanidine, 6-Epipurpurosamine B, 2-(3-nitrobenzyl)guanidine, 2-[(3-nitrophenyl)methyl]guanidine
| Molecular Formula | C8H10N4O2 |
|---|---|
| Molecular Weight | 194.08 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.08037 |
| Heavy Atoms | 14 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 93338-63-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])CN=C(N)N |
| InChIKey | OTUQBYYYTWBPMN-UHFFFAOYSA-N |
Product Overview
N-((3-Nitrophenyl)methyl)guanidine (CAS 93338-63-7), with molecular formula C8H10N4O2 and molecular weight 194.08 g/mol. IUPAC: 2-[(3-nitrophenyl)methyl]guanidine.
Chemical Property Profile of N-((3-Nitrophenyl)methyl)guanidine
Property Insights of N-((3-Nitrophenyl)methyl)guanidine
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-((3-Nitrophenyl)methyl)guanidine. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((3-Nitrophenyl)methyl)guanidine. Following Lipinski's Rule of Five, N-((3-Nitrophenyl)methyl)guanidine 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-((3-Nitrophenyl)methyl)guanidine?
The CAS number of N-((3-Nitrophenyl)methyl)guanidine is 93338-63-7.
What is the molecular formula of N-((3-Nitrophenyl)methyl)guanidine?
The molecular formula of N-((3-Nitrophenyl)methyl)guanidine is C8H10N4O2.
What is the molecular weight of N-((3-Nitrophenyl)methyl)guanidine?
The molecular weight of N-((3-Nitrophenyl)methyl)guanidine is 194.08 g/mol.
Where can I buy N-((3-Nitrophenyl)methyl)guanidine?
You can request a quote for N-((3-Nitrophenyl)methyl)guanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((3-Nitrophenyl)methyl)guanidine?
Yes, KEHONG BIO provides custom synthesis services for N-((3-Nitrophenyl)methyl)guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.