Benzamidine, 3,4-dimethoxy-, monohydrochloride
TL;DR: Benzamidine, 3,4-dimethoxy-, monohydrochloride (CAS 51488-33-6) is a chemical compound with molecular formula C9H13ClN2O2 and molecular weight 216.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[amino-(3,4-dimethoxyphenyl)methylidene]azanium chloride
Also Known As: 3,4-Dimethoxybenzamidine hydrochloride, 3,4-Dimethoxy-benzamidine HCl, 3,4-dimethoxybenzimidamide hydrochloride, BENZAMIDINE, 3,4-DIMETHOXY-, MONOHYDROCHLORIDE, [amino-(3,4-dimethoxyphenyl)methylidene]azanium;chloride
| Molecular Formula | C9H13ClN2O2 |
|---|---|
| Molecular Weight | 216.07 g/mol |
| LogP | -3.83 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.06656 |
| Heavy Atoms | 14 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 51488-33-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=[NH2+])N)OC.[Cl-] |
| InChIKey | JTKNCRAAATVMFV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzamidine, 3,4-dimethoxy-, monohydrochloride (CAS 51488-33-6), with molecular formula C9H13ClN2O2 and molecular weight 216.07 g/mol. IUPAC: [amino-(3,4-dimethoxyphenyl)methylidene]azanium chloride.
Chemical Property Profile of Benzamidine, 3,4-dimethoxy-, monohydrochloride
Property Insights of Benzamidine, 3,4-dimethoxy-, monohydrochloride
The XLogP value of -3.83 indicates that Benzamidine, 3,4-dimethoxy-, monohydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzamidine, 3,4-dimethoxy-, monohydrochloride. Following Lipinski's Rule of Five, Benzamidine, 3,4-dimethoxy-, monohydrochloride 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 Benzamidine, 3,4-dimethoxy-, monohydrochloride?
The CAS number of Benzamidine, 3,4-dimethoxy-, monohydrochloride is 51488-33-6.
What is the molecular formula of Benzamidine, 3,4-dimethoxy-, monohydrochloride?
The molecular formula of Benzamidine, 3,4-dimethoxy-, monohydrochloride is C9H13ClN2O2.
What is the molecular weight of Benzamidine, 3,4-dimethoxy-, monohydrochloride?
The molecular weight of Benzamidine, 3,4-dimethoxy-, monohydrochloride is 216.07 g/mol.
Where can I buy Benzamidine, 3,4-dimethoxy-, monohydrochloride?
You can request a quote for Benzamidine, 3,4-dimethoxy-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzamidine, 3,4-dimethoxy-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzamidine, 3,4-dimethoxy-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.