Benzoic acid, 4-(aminomethyl)-, hydrochloride (1:1)
TL;DR: Benzoic acid, 4-(aminomethyl)-, hydrochloride (1:1) (CAS 67688-72-6) is a chemical compound with molecular formula C8H10ClNO2 and molecular weight 187.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(aminomethyl)benzoic acid;hydrochloride
Also Known As: 4-(Aminomethyl)benzoic acid hydrochloride, 4-(Aminomethyl)benzoic acid HCl, 4-(aminomethyl)benzoic acid;hydrochloride, 4-carboxy-benzylamine hydrochloride, 4-aminomethylbenzoic acid hydrochloride
| Molecular Formula | C8H10ClNO2 |
|---|---|
| Molecular Weight | 187.04 g/mol |
| LogP | 1.27 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.04001 |
| Heavy Atoms | 12 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 67688-72-6 |
|---|---|
| SMILES | C1=CC(=CC=C1CN)C(=O)O.Cl |
| InChIKey | IQKLOQHWKQYTQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 4-(aminomethyl)-, hydrochloride (1:1) (CAS 67688-72-6), with molecular formula C8H10ClNO2 and molecular weight 187.04 g/mol. IUPAC: 4-(aminomethyl)benzoic acid;hydrochloride.
Chemical Property Profile of Benzoic acid, 4-(aminomethyl)-, hydrochloride (1:1)
Property Insights of Benzoic acid, 4-(aminomethyl)-, hydrochloride (1:1)
The XLogP value of 1.27 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-(aminomethyl)-, hydrochloride (1:1). The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-(aminomethyl)-, hydrochloride (1:1). Following Lipinski's Rule of Five, Benzoic acid, 4-(aminomethyl)-, hydrochloride (1:1) has 3 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, 4-(aminomethyl)-, hydrochloride (1:1)?
The CAS number of Benzoic acid, 4-(aminomethyl)-, hydrochloride (1:1) is 67688-72-6.
What is the molecular formula of Benzoic acid, 4-(aminomethyl)-, hydrochloride (1:1)?
The molecular formula of Benzoic acid, 4-(aminomethyl)-, hydrochloride (1:1) is C8H10ClNO2.
What is the molecular weight of Benzoic acid, 4-(aminomethyl)-, hydrochloride (1:1)?
The molecular weight of Benzoic acid, 4-(aminomethyl)-, hydrochloride (1:1) is 187.04 g/mol.
Where can I buy Benzoic acid, 4-(aminomethyl)-, hydrochloride (1:1)?
You can request a quote for Benzoic acid, 4-(aminomethyl)-, 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, 4-(aminomethyl)-, hydrochloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(aminomethyl)-, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.