N-(1,3-Benzodioxol-5-ylmethyl)guanidine
TL;DR: N-(1,3-Benzodioxol-5-ylmethyl)guanidine (CAS 19889-44-2) is a chemical compound with molecular formula C9H11N3O2 and molecular weight 193.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-ylmethyl)guanidine
Also Known As: 1-(1,3-benzodioxol-5-ylmethyl)guanidine, 2-(1,3-benzodioxol-5-ylmethyl)guanidine, N-Benzo[1,3]dioxol-5-ylmethylguanidine, n-(1,3-benzodioxol-5-ylmethyl)guanidine, 1-(benzo[d][1,3]dioxol-5-ylmethyl)guanidine
| Molecular Formula | C9H11N3O2 |
|---|---|
| Molecular Weight | 193.09 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 82.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.08513 |
| Heavy Atoms | 14 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 19889-44-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CN=C(N)N |
| InChIKey | QVBNBQQABMECQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(1,3-Benzodioxol-5-ylmethyl)guanidine (CAS 19889-44-2), with molecular formula C9H11N3O2 and molecular weight 193.09 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylmethyl)guanidine.
Chemical Property Profile of N-(1,3-Benzodioxol-5-ylmethyl)guanidine
Property Insights of N-(1,3-Benzodioxol-5-ylmethyl)guanidine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-Benzodioxol-5-ylmethyl)guanidine. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-Benzodioxol-5-ylmethyl)guanidine. Following Lipinski's Rule of Five, N-(1,3-Benzodioxol-5-ylmethyl)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-(1,3-Benzodioxol-5-ylmethyl)guanidine?
The CAS number of N-(1,3-Benzodioxol-5-ylmethyl)guanidine is 19889-44-2.
What is the molecular formula of N-(1,3-Benzodioxol-5-ylmethyl)guanidine?
The molecular formula of N-(1,3-Benzodioxol-5-ylmethyl)guanidine is C9H11N3O2.
What is the molecular weight of N-(1,3-Benzodioxol-5-ylmethyl)guanidine?
The molecular weight of N-(1,3-Benzodioxol-5-ylmethyl)guanidine is 193.09 g/mol.
Where can I buy N-(1,3-Benzodioxol-5-ylmethyl)guanidine?
You can request a quote for N-(1,3-Benzodioxol-5-ylmethyl)guanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-Benzodioxol-5-ylmethyl)guanidine?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-Benzodioxol-5-ylmethyl)guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.