N-amino-N'-benzylguanidine
TL;DR: N-amino-N'-benzylguanidine (CAS 81067-82-5) is a chemical compound with molecular formula C8H12N4 and molecular weight 164.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-2-benzylguanidine
Also Known As: N-benzyl-N'-aminoguanidine, 1-amino-2-benzylguanidine, 1-Benzyl-2-aminoguanidine, N-amino-N'-benzylguanidine, 1-amino-2-benzyl-guanidine
| Molecular Formula | C8H12N4 |
|---|---|
| Molecular Weight | 164.11 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 76.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.1062 |
| Heavy Atoms | 12 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 81067-82-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN=C(N)NN |
| InChIKey | SMXJSTNXPBXBOR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-amino-N'-benzylguanidine (CAS 81067-82-5), with molecular formula C8H12N4 and molecular weight 164.11 g/mol. IUPAC: 1-amino-2-benzylguanidine.
Chemical Property Profile of N-amino-N'-benzylguanidine
Property Insights of N-amino-N'-benzylguanidine
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-amino-N'-benzylguanidine. The TPSA of 76.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-amino-N'-benzylguanidine. Following Lipinski's Rule of Five, N-amino-N'-benzylguanidine 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 N-amino-N'-benzylguanidine?
The CAS number of N-amino-N'-benzylguanidine is 81067-82-5.
What is the molecular formula of N-amino-N'-benzylguanidine?
The molecular formula of N-amino-N'-benzylguanidine is C8H12N4.
What is the molecular weight of N-amino-N'-benzylguanidine?
The molecular weight of N-amino-N'-benzylguanidine is 164.11 g/mol.
Where can I buy N-amino-N'-benzylguanidine?
You can request a quote for N-amino-N'-benzylguanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-amino-N'-benzylguanidine?
Yes, KEHONG BIO provides custom synthesis services for N-amino-N'-benzylguanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.