Benzoic acid, 3-amino-, ethyl ester, hydrochloride (1:1)
TL;DR: Benzoic acid, 3-amino-, ethyl ester, hydrochloride (1:1) (CAS 64663-39-4) is a chemical compound with molecular formula C9H12ClNO2 and molecular weight 201.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-aminobenzoate;hydrochloride
Also Known As: tricaine hydrochloride, Benzoic acid, 3-amino-, ethyl ester, hydrochloride, ethyl 3-aminobenzoate hydrochloride, ethyl 3-aminobenzoate;hydrochloride, ethyl 3-aminobenzoate,hydrochloride
| Molecular Formula | C9H12ClNO2 |
|---|---|
| Molecular Weight | 201.06 g/mol |
| LogP | 1.8673 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.05565 |
| Heavy Atoms | 13 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 64663-39-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC=C1)N.Cl |
| InChIKey | XFCIMIQCFPNSMC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 3-amino-, ethyl ester, hydrochloride (1:1) (CAS 64663-39-4), with molecular formula C9H12ClNO2 and molecular weight 201.06 g/mol. IUPAC: ethyl 3-aminobenzoate;hydrochloride.
Chemical Property Profile of Benzoic acid, 3-amino-, ethyl ester, hydrochloride (1:1)
Property Insights of Benzoic acid, 3-amino-, ethyl ester, hydrochloride (1:1)
The XLogP value of 1.8673 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-amino-, ethyl ester, hydrochloride (1:1). With a topological polar surface area (TPSA) of 52.3 Ų, Benzoic acid, 3-amino-, ethyl ester, hydrochloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3-amino-, ethyl ester, hydrochloride (1:1) 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 Benzoic acid, 3-amino-, ethyl ester, hydrochloride (1:1)?
The CAS number of Benzoic acid, 3-amino-, ethyl ester, hydrochloride (1:1) is 64663-39-4.
What is the molecular formula of Benzoic acid, 3-amino-, ethyl ester, hydrochloride (1:1)?
The molecular formula of Benzoic acid, 3-amino-, ethyl ester, hydrochloride (1:1) is C9H12ClNO2.
What is the molecular weight of Benzoic acid, 3-amino-, ethyl ester, hydrochloride (1:1)?
The molecular weight of Benzoic acid, 3-amino-, ethyl ester, hydrochloride (1:1) is 201.06 g/mol.
Where can I buy Benzoic acid, 3-amino-, ethyl ester, hydrochloride (1:1)?
You can request a quote for Benzoic acid, 3-amino-, ethyl ester, 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 Benzoic acid, 3-amino-, ethyl ester, hydrochloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-amino-, ethyl ester, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.