2-Benzyl-1-(diaminomethylidene)guanidine
TL;DR: 2-Benzyl-1-(diaminomethylidene)guanidine (CAS 18030-95-0) is a chemical compound with molecular formula C9H13N5 and molecular weight 191.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-1-(diaminomethylidene)guanidine
Also Known As: benzyldiguanide, Benzylbiguanid, 1-benzylbiguanide, 2-benzyl-1-(diaminomethylidene)guanidine, N'-Benzylbiguanide
| Molecular Formula | C9H13N5 |
|---|---|
| Molecular Weight | 191.12 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 191.1171 |
| Heavy Atoms | 14 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 18030-95-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN=C(N)N=C(N)N |
| InChIKey | IBWXAMPUVRBFIS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzyl-1-(diaminomethylidene)guanidine (CAS 18030-95-0), with molecular formula C9H13N5 and molecular weight 191.12 g/mol. IUPAC: 2-benzyl-1-(diaminomethylidene)guanidine.
Chemical Property Profile of 2-Benzyl-1-(diaminomethylidene)guanidine
Property Insights of 2-Benzyl-1-(diaminomethylidene)guanidine
The XLogP value of -1.1 indicates that 2-Benzyl-1-(diaminomethylidene)guanidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzyl-1-(diaminomethylidene)guanidine. Following Lipinski's Rule of Five, 2-Benzyl-1-(diaminomethylidene)guanidine has 3 hydrogen bond donor(s) and 1 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 2-Benzyl-1-(diaminomethylidene)guanidine?
The CAS number of 2-Benzyl-1-(diaminomethylidene)guanidine is 18030-95-0.
What is the molecular formula of 2-Benzyl-1-(diaminomethylidene)guanidine?
The molecular formula of 2-Benzyl-1-(diaminomethylidene)guanidine is C9H13N5.
What is the molecular weight of 2-Benzyl-1-(diaminomethylidene)guanidine?
The molecular weight of 2-Benzyl-1-(diaminomethylidene)guanidine is 191.12 g/mol.
Where can I buy 2-Benzyl-1-(diaminomethylidene)guanidine?
You can request a quote for 2-Benzyl-1-(diaminomethylidene)guanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzyl-1-(diaminomethylidene)guanidine?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl-1-(diaminomethylidene)guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.