3-(Dimethylamino)benzoic acid
TL;DR: 3-(Dimethylamino)benzoic acid (CAS 99-64-9) is a chemical compound with molecular formula C9H11NO2 and molecular weight 165.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)benzoic acid
Also Known As: 3-(Dimethylamino)benzoic acid, 3-Dimethylaminobenzoic acid, Benzoic acid, 3-(dimethylamino)-, 3- benzoicacid, m-(Dimethylamino)benzoic acid
| Molecular Formula | C9H11NO2 |
|---|---|
| Molecular Weight | 165.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 165.07898 |
| Heavy Atoms | 12 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 99-64-9 |
|---|---|
| SMILES | CN(C)C1=CC=CC(=C1)C(=O)O |
| InChIKey | NEGFNJRAUMCZMY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Dimethylamino)benzoic acid (CAS 99-64-9), with molecular formula C9H11NO2 and molecular weight 165.08 g/mol. IUPAC: 3-(dimethylamino)benzoic acid.
Chemical Property Profile of 3-(Dimethylamino)benzoic acid
Property Insights of 3-(Dimethylamino)benzoic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethylamino)benzoic acid. With a topological polar surface area (TPSA) of 40.5 Ų, 3-(Dimethylamino)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylamino)benzoic acid has 1 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 3-(Dimethylamino)benzoic acid?
The CAS number of 3-(Dimethylamino)benzoic acid is 99-64-9.
What is the molecular formula of 3-(Dimethylamino)benzoic acid?
The molecular formula of 3-(Dimethylamino)benzoic acid is C9H11NO2.
What is the molecular weight of 3-(Dimethylamino)benzoic acid?
The molecular weight of 3-(Dimethylamino)benzoic acid is 165.08 g/mol.
Where can I buy 3-(Dimethylamino)benzoic acid?
You can request a quote for 3-(Dimethylamino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Dimethylamino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylamino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.