(1-Naphthylmethyl)guanidine
TL;DR: (1-Naphthylmethyl)guanidine (CAS 5696-79-7) is a chemical compound with molecular formula C12H13N3 and molecular weight 199.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(naphthalen-1-ylmethyl)guanidine
Also Known As: (1-NAPHTHYLMETHYL)GUANIDINE, guanidine, 1-methylbenzimidazole, 1-(Naphthalen-1-ylmethyl)guanidine, N-[(naphthalen-1-yl)methyl]guanidine
| Molecular Formula | C12H13N3 |
|---|---|
| Molecular Weight | 199.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.11095 |
| Heavy Atoms | 15 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 5696-79-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2CN=C(N)N |
| InChIKey | HNCIJEQEYCRDJX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1-Naphthylmethyl)guanidine (CAS 5696-79-7), with molecular formula C12H13N3 and molecular weight 199.11 g/mol. IUPAC: 2-(naphthalen-1-ylmethyl)guanidine.
Chemical Property Profile of (1-Naphthylmethyl)guanidine
Property Insights of (1-Naphthylmethyl)guanidine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-Naphthylmethyl)guanidine. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-Naphthylmethyl)guanidine. Following Lipinski's Rule of Five, (1-Naphthylmethyl)guanidine has 2 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 (1-Naphthylmethyl)guanidine?
The CAS number of (1-Naphthylmethyl)guanidine is 5696-79-7.
What is the molecular formula of (1-Naphthylmethyl)guanidine?
The molecular formula of (1-Naphthylmethyl)guanidine is C12H13N3.
What is the molecular weight of (1-Naphthylmethyl)guanidine?
The molecular weight of (1-Naphthylmethyl)guanidine is 199.11 g/mol.
Where can I buy (1-Naphthylmethyl)guanidine?
You can request a quote for (1-Naphthylmethyl)guanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Naphthylmethyl)guanidine?
Yes, KEHONG BIO provides custom synthesis services for (1-Naphthylmethyl)guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.