Phenethylguanidine
TL;DR: Phenethylguanidine (CAS 538-69-2) is a chemical compound with molecular formula C9H14N4 and molecular weight 178.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-phenylethylamino)guanidine
Also Known As: Phenethylguanidine, Phenylethylguanidine, Phenethylaminoguanidine, Guanidine, (2-phenylethyl)-, 2-(phenethylamino)guanidine
| Molecular Formula | C9H14N4 |
|---|---|
| Molecular Weight | 178.12 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 76.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 178.12184 |
| Heavy Atoms | 13 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 538-69-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNN=C(N)N |
| InChIKey | NMLWFEJUWANVHA-UHFFFAOYSA-N |
Product Overview
Phenethylguanidine (CAS 538-69-2), with molecular formula C9H14N4 and molecular weight 178.12 g/mol. IUPAC: 2-(2-phenylethylamino)guanidine.
Chemical Property Profile of Phenethylguanidine
Property Insights of Phenethylguanidine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenethylguanidine. The TPSA of 76.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenethylguanidine. Following Lipinski's Rule of Five, Phenethylguanidine has 3 hydrogen bond donor(s) and 2 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 Phenethylguanidine?
The CAS number of Phenethylguanidine is 538-69-2.
What is the molecular formula of Phenethylguanidine?
The molecular formula of Phenethylguanidine is C9H14N4.
What is the molecular weight of Phenethylguanidine?
The molecular weight of Phenethylguanidine is 178.12 g/mol.
Where can I buy Phenethylguanidine?
You can request a quote for Phenethylguanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenethylguanidine?
Yes, KEHONG BIO provides custom synthesis services for Phenethylguanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.