1,2-Benzenedicarboxylic acid, 3-amino-, hydrochloride (1:1)
TL;DR: 1,2-Benzenedicarboxylic acid, 3-amino-, hydrochloride (1:1) (CAS 6946-22-1) is a chemical compound with molecular formula C8H8ClNO4 and molecular weight 217.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-aminophthalic acid;hydrochloride
Also Known As: 3-Aminophthalic acid hydrochloride, qvr bz fvq&&hcl[wln], 3-aminophthalic acid;hydrochloride, Phthalic acid, hydrochloride, 3-AMINOPHTHALIC ACID HCL
| Molecular Formula | C8H8ClNO4 |
|---|---|
| Molecular Weight | 217.01 g/mol |
| LogP | 1.09 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.01419 |
| Heavy Atoms | 14 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 6946-22-1 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)N)C(=O)O)C(=O)O.Cl |
| InChIKey | ZBZAVEORKXFUQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Benzenedicarboxylic acid, 3-amino-, hydrochloride (1:1) (CAS 6946-22-1), with molecular formula C8H8ClNO4 and molecular weight 217.01 g/mol. IUPAC: 3-aminophthalic acid;hydrochloride.
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, 3-amino-, hydrochloride (1:1)
Property Insights of 1,2-Benzenedicarboxylic acid, 3-amino-, hydrochloride (1:1)
The XLogP value of 1.09 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzenedicarboxylic acid, 3-amino-, hydrochloride (1:1). The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzenedicarboxylic acid, 3-amino-, hydrochloride (1:1). Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, 3-amino-, hydrochloride (1:1) has 4 hydrogen bond donor(s) and 5 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 1,2-Benzenedicarboxylic acid, 3-amino-, hydrochloride (1:1)?
The CAS number of 1,2-Benzenedicarboxylic acid, 3-amino-, hydrochloride (1:1) is 6946-22-1.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, 3-amino-, hydrochloride (1:1)?
The molecular formula of 1,2-Benzenedicarboxylic acid, 3-amino-, hydrochloride (1:1) is C8H8ClNO4.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, 3-amino-, hydrochloride (1:1)?
The molecular weight of 1,2-Benzenedicarboxylic acid, 3-amino-, hydrochloride (1:1) is 217.01 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, 3-amino-, hydrochloride (1:1)?
You can request a quote for 1,2-Benzenedicarboxylic acid, 3-amino-, 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 1,2-Benzenedicarboxylic acid, 3-amino-, hydrochloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboxylic acid, 3-amino-, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.