2,4-Dihydroxybenzylamine
TL;DR: 2,4-Dihydroxybenzylamine (CAS 63452-56-2) is a chemical compound with molecular formula C1=CC(=C(C=C1O)O)CN 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-1,3-diol
Also Known As: 2,4-Dihydroxybenzylamine, 4-(aminomethyl)benzene-1,3-diol, dioxybenzylamine, 2,4-Dhba, 2-Amino-5-bromophenol
| Molecular Formula | C1=CC(=C(C=C1O)O)CN |
|---|---|
| Molecular Weight | 139.06 g/mol |
| LogP | 0.6 |
| 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 | 63452-56-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1O)O)CN |
| InChIKey | BJJYHNCUAZNAOP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dihydroxybenzylamine (CAS 63452-56-2), with molecular formula C1=CC(=C(C=C1O)O)CN and molecular weight 139.06 g/mol. IUPAC: 4-(aminomethyl)benzene-1,3-diol.
Chemical Property Profile of 2,4-Dihydroxybenzylamine
Property Insights of 2,4-Dihydroxybenzylamine
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dihydroxybenzylamine. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dihydroxybenzylamine. Following Lipinski's Rule of Five, 2,4-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 2,4-Dihydroxybenzylamine?
The CAS number of 2,4-Dihydroxybenzylamine is 63452-56-2.
What is the molecular formula of 2,4-Dihydroxybenzylamine?
The molecular formula of 2,4-Dihydroxybenzylamine is C1=CC(=C(C=C1O)O)CN.
What is the molecular weight of 2,4-Dihydroxybenzylamine?
The molecular weight of 2,4-Dihydroxybenzylamine is 139.06 g/mol.
Where can I buy 2,4-Dihydroxybenzylamine?
You can request a quote for 2,4-Dihydroxybenzylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dihydroxybenzylamine?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dihydroxybenzylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.