4-({[2-(Dimethylamino)ethyl]amino}methyl)benzene-1,2-diol
TL;DR: 4-({[2-(Dimethylamino)ethyl]amino}methyl)benzene-1,2-diol (CAS 827329-39-5) is a chemical compound with molecular formula C11H18N2O2 and molecular weight 210.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(dimethylamino)ethylamino]methyl]benzene-1,2-diol
Also Known As: 4-[(2-dimethylaminoethylamino)methyl]benzene-1,2-diol, 1,2-Benzenediol,4-[[[2- ethyl]amino]methyl]-, 4-({[2-(dimethylamino)ethyl]amino}methyl)benzene-1,2-diol, 1,2-benzenediol,4-[[[2-(dimethylamino)ethyl]amino]methyl]-, 1,2-BENZENEDIOL, 4-[[[2-(DIMETHYLAMINO)ETHYL]AMINO]METHYL]-
| Molecular Formula | C11H18N2O2 |
|---|---|
| Molecular Weight | 210.14 g/mol |
| LogP | 0.749 |
| Topological Polar Surface Area | 55.73 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 210.13683 |
| Heavy Atoms | 15 |
| Complexity | 313.45627 |
Chemical Identifiers
| CAS Number | 827329-39-5 |
|---|---|
| SMILES | CN(C)CCNCC1=CC(=C(C=C1)O)O |
Product Overview
4-({[2-(Dimethylamino)ethyl]amino}methyl)benzene-1,2-diol (CAS 827329-39-5), with molecular formula C11H18N2O2 and molecular weight 210.14 g/mol. IUPAC: 4-[[2-(dimethylamino)ethylamino]methyl]benzene-1,2-diol.
Chemical Property Profile of 4-({[2-(Dimethylamino)ethyl]amino}methyl)benzene-1,2-diol
Property Insights of 4-({[2-(Dimethylamino)ethyl]amino}methyl)benzene-1,2-diol
The XLogP value of 0.749 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-({[2-(Dimethylamino)ethyl]amino}methyl)benzene-1,2-diol. With a topological polar surface area (TPSA) of 55.73 Ų, 4-({[2-(Dimethylamino)ethyl]amino}methyl)benzene-1,2-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-({[2-(Dimethylamino)ethyl]amino}methyl)benzene-1,2-diol has 3 hydrogen bond donor(s) and 4 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 4-({[2-(Dimethylamino)ethyl]amino}methyl)benzene-1,2-diol?
The CAS number of 4-({[2-(Dimethylamino)ethyl]amino}methyl)benzene-1,2-diol is 827329-39-5.
What is the molecular formula of 4-({[2-(Dimethylamino)ethyl]amino}methyl)benzene-1,2-diol?
The molecular formula of 4-({[2-(Dimethylamino)ethyl]amino}methyl)benzene-1,2-diol is C11H18N2O2.
What is the molecular weight of 4-({[2-(Dimethylamino)ethyl]amino}methyl)benzene-1,2-diol?
The molecular weight of 4-({[2-(Dimethylamino)ethyl]amino}methyl)benzene-1,2-diol is 210.14 g/mol.
Where can I buy 4-({[2-(Dimethylamino)ethyl]amino}methyl)benzene-1,2-diol?
You can request a quote for 4-({[2-(Dimethylamino)ethyl]amino}methyl)benzene-1,2-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-({[2-(Dimethylamino)ethyl]amino}methyl)benzene-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for 4-({[2-(Dimethylamino)ethyl]amino}methyl)benzene-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.