1,2-Benzenediol, 3-((dimethylamino)methyl)-
TL;DR: 1,2-Benzenediol, 3-((dimethylamino)methyl)- (CAS 94483-71-3) is a chemical compound with molecular formula C9H13NO2 and molecular weight 167.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(dimethylamino)methyl]benzene-1,2-diol
Also Known As: 3-(Dimethylaminomethyl)catechol, 3-(dimethylaminomethyl)benzene-1,2-diol, 3-[(Dimethylamino)methyl]catechol, 1,2-Benzenediol, 3-((dimethylamino)methyl)-, 3-[(dimethylamino)methyl]benzene-1,2-diol
| Molecular Formula | C9H13NO2 |
|---|---|
| Molecular Weight | 167.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 43.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.09464 |
| Heavy Atoms | 12 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 94483-71-3 |
|---|---|
| SMILES | CN(C)CC1=C(C(=CC=C1)O)O |
| InChIKey | FVIHLQHUULUVEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Benzenediol, 3-((dimethylamino)methyl)- (CAS 94483-71-3), with molecular formula C9H13NO2 and molecular weight 167.09 g/mol. IUPAC: 3-[(dimethylamino)methyl]benzene-1,2-diol.
Chemical Property Profile of 1,2-Benzenediol, 3-((dimethylamino)methyl)-
Property Insights of 1,2-Benzenediol, 3-((dimethylamino)methyl)-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzenediol, 3-((dimethylamino)methyl)-. With a topological polar surface area (TPSA) of 43.7 Ų, 1,2-Benzenediol, 3-((dimethylamino)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzenediol, 3-((dimethylamino)methyl)- 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 1,2-Benzenediol, 3-((dimethylamino)methyl)-?
The CAS number of 1,2-Benzenediol, 3-((dimethylamino)methyl)- is 94483-71-3.
What is the molecular formula of 1,2-Benzenediol, 3-((dimethylamino)methyl)-?
The molecular formula of 1,2-Benzenediol, 3-((dimethylamino)methyl)- is C9H13NO2.
What is the molecular weight of 1,2-Benzenediol, 3-((dimethylamino)methyl)-?
The molecular weight of 1,2-Benzenediol, 3-((dimethylamino)methyl)- is 167.09 g/mol.
Where can I buy 1,2-Benzenediol, 3-((dimethylamino)methyl)-?
You can request a quote for 1,2-Benzenediol, 3-((dimethylamino)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzenediol, 3-((dimethylamino)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenediol, 3-((dimethylamino)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.