Hydroxyethyl-3,4-methylenedioxyaniline hydrochloride
TL;DR: Hydroxyethyl-3,4-methylenedioxyaniline hydrochloride (CAS 81329-90-0) is a chemical compound with molecular formula C9H12ClNO3 and molecular weight 217.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-ylamino)ethanol;hydrochloride
Also Known As: 2-(Benzo[d][1,3]dioxol-5-ylamino)ethanol hydrochloride, COLOREX MDOX, 2,5-dibromopyrazine, 16beta-Hydroxynandrolone, N-(2-Hydroxyethyl)-3,4-methylenedioxyaniline hydrochloride
| Molecular Formula | C9H12ClNO3 |
|---|---|
| Molecular Weight | 217.05 g/mol |
| LogP | 1.2413 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.05057 |
| Heavy Atoms | 14 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 81329-90-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NCCO.Cl |
| InChIKey | LMONVTDNVNEAQG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hydroxyethyl-3,4-methylenedioxyaniline hydrochloride (CAS 81329-90-0), with molecular formula C9H12ClNO3 and molecular weight 217.05 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylamino)ethanol;hydrochloride.
Chemical Property Profile of Hydroxyethyl-3,4-methylenedioxyaniline hydrochloride
Property Insights of Hydroxyethyl-3,4-methylenedioxyaniline hydrochloride
The XLogP value of 1.2413 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hydroxyethyl-3,4-methylenedioxyaniline hydrochloride. With a topological polar surface area (TPSA) of 50.7 Ų, Hydroxyethyl-3,4-methylenedioxyaniline hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hydroxyethyl-3,4-methylenedioxyaniline hydrochloride 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 Hydroxyethyl-3,4-methylenedioxyaniline hydrochloride?
The CAS number of Hydroxyethyl-3,4-methylenedioxyaniline hydrochloride is 81329-90-0.
What is the molecular formula of Hydroxyethyl-3,4-methylenedioxyaniline hydrochloride?
The molecular formula of Hydroxyethyl-3,4-methylenedioxyaniline hydrochloride is C9H12ClNO3.
What is the molecular weight of Hydroxyethyl-3,4-methylenedioxyaniline hydrochloride?
The molecular weight of Hydroxyethyl-3,4-methylenedioxyaniline hydrochloride is 217.05 g/mol.
Where can I buy Hydroxyethyl-3,4-methylenedioxyaniline hydrochloride?
You can request a quote for Hydroxyethyl-3,4-methylenedioxyaniline hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydroxyethyl-3,4-methylenedioxyaniline hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Hydroxyethyl-3,4-methylenedioxyaniline hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.