Benzonitrile, 4-amino-2,5-dimethoxy-, hydrochloride (1:1)
TL;DR: Benzonitrile, 4-amino-2,5-dimethoxy-, hydrochloride (1:1) (CAS 6368-91-8) is a chemical compound with molecular formula C9H11ClN2O2 and molecular weight 214.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-2,5-dimethoxybenzonitrile;hydrochloride
Also Known As: C.I. Azoic Diazo Component 40, Benzonitrile, 4-amino-2,5-dimethoxy-, monohydrochloride, 4-amino-2,5-dimethoxybenzonitrile hydrochloride, Benzonitrile, 4-amino-2,5-dimethoxy-, hydrochloride (1:1), 4-Amino-2,5-dimethoxybenzonitrile--hydrogen chloride (1/1)
| Molecular Formula | C9H11ClN2O2 |
|---|---|
| Molecular Weight | 214.05 g/mol |
| LogP | 1.58 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.0509 |
| Heavy Atoms | 14 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 6368-91-8 |
|---|---|
| SMILES | COC1=CC(=C(C=C1C#N)OC)N.Cl |
| InChIKey | FBIXCDGNBBPANR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzonitrile, 4-amino-2,5-dimethoxy-, hydrochloride (1:1) (CAS 6368-91-8), with molecular formula C9H11ClN2O2 and molecular weight 214.05 g/mol. IUPAC: 4-amino-2,5-dimethoxybenzonitrile;hydrochloride.
Chemical Property Profile of Benzonitrile, 4-amino-2,5-dimethoxy-, hydrochloride (1:1)
Property Insights of Benzonitrile, 4-amino-2,5-dimethoxy-, hydrochloride (1:1)
The XLogP value of 1.58 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 4-amino-2,5-dimethoxy-, hydrochloride (1:1). The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzonitrile, 4-amino-2,5-dimethoxy-, hydrochloride (1:1). Following Lipinski's Rule of Five, Benzonitrile, 4-amino-2,5-dimethoxy-, hydrochloride (1:1) has 2 hydrogen bond donor(s) and 4 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 Benzonitrile, 4-amino-2,5-dimethoxy-, hydrochloride (1:1)?
The CAS number of Benzonitrile, 4-amino-2,5-dimethoxy-, hydrochloride (1:1) is 6368-91-8.
What is the molecular formula of Benzonitrile, 4-amino-2,5-dimethoxy-, hydrochloride (1:1)?
The molecular formula of Benzonitrile, 4-amino-2,5-dimethoxy-, hydrochloride (1:1) is C9H11ClN2O2.
What is the molecular weight of Benzonitrile, 4-amino-2,5-dimethoxy-, hydrochloride (1:1)?
The molecular weight of Benzonitrile, 4-amino-2,5-dimethoxy-, hydrochloride (1:1) is 214.05 g/mol.
Where can I buy Benzonitrile, 4-amino-2,5-dimethoxy-, hydrochloride (1:1)?
You can request a quote for Benzonitrile, 4-amino-2,5-dimethoxy-, hydrochloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 4-amino-2,5-dimethoxy-, hydrochloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-amino-2,5-dimethoxy-, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.