Dihydroxybenzylamine
TL;DR: Dihydroxybenzylamine (CAS 37491-68-2) is a chemical compound with molecular formula C7H9NO2 and molecular weight 139.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(aminomethyl)benzene-1,2-diol
Also Known As: 3,4-Dihydroxybenzylamine, 4-(aminomethyl)benzene-1,2-diol, dihydroxybenzylamine, 4-(Aminomethyl)-1,2-benzenediol, Dopamine Impurity 4
| Molecular Formula | C7H9NO2 |
|---|---|
| Molecular Weight | 139.06 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 139.06332 |
| Heavy Atoms | 10 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 37491-68-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1CN)O)O |
| InChIKey | YFMPSMITLLBENU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dihydroxybenzylamine (CAS 37491-68-2), with molecular formula C7H9NO2 and molecular weight 139.06 g/mol. IUPAC: 4-(aminomethyl)benzene-1,2-diol.
Chemical Property Profile of Dihydroxybenzylamine
Property Insights of Dihydroxybenzylamine
The XLogP value of -0.1 indicates that Dihydroxybenzylamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Dihydroxybenzylamine. Following Lipinski's Rule of Five, Dihydroxybenzylamine 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 Dihydroxybenzylamine?
The CAS number of Dihydroxybenzylamine is 37491-68-2.
What is the molecular formula of Dihydroxybenzylamine?
The molecular formula of Dihydroxybenzylamine is C7H9NO2.
What is the molecular weight of Dihydroxybenzylamine?
The molecular weight of Dihydroxybenzylamine is 139.06 g/mol.
Where can I buy Dihydroxybenzylamine?
You can request a quote for Dihydroxybenzylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihydroxybenzylamine?
Yes, KEHONG BIO provides custom synthesis services for Dihydroxybenzylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.