Benzeneethanamine, 4-(2-(diethylamino)ethoxy)-alpha-methyl-, ethanedioate (1:2)
TL;DR: Benzeneethanamine, 4-(2-(diethylamino)ethoxy)-alpha-methyl-, ethanedioate (1:2) (CAS 126002-23-1) is a chemical compound with molecular formula C19H30N2O9 and molecular weight 430.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[2-(diethylamino)ethoxy]phenyl]propan-2-amine;oxalic acid
Also Known As: 4-(2-(Diethylamino)ethoxy)-alpha-methylbenzeneethanamine dioxalate, Benzeneethanamine, 4-(2-(diethylamino)ethoxy)-alpha-methyl-, ethanedioate (1:2), 1-[4-(2-diethylaminoethyloxy)phenyl]propan-2-amine; oxalic acid, Oxalic acid--1-{4-[2-(diethylamino)ethoxy]phenyl}propan-2-amine (2/1), RefChem:324596
| Molecular Formula | C19H30N2O9 |
|---|---|
| Molecular Weight | 430.20 g/mol |
| LogP | 0.6081 |
| Topological Polar Surface Area | 187.69 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 430.19513 |
| Heavy Atoms | 30 |
| Complexity | 608.4739 |
Chemical Identifiers
| CAS Number | 126002-23-1 |
|---|---|
| SMILES | CCN(CC)CCOC1=CC=C(C=C1)CC(C)N.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
Product Overview
Benzeneethanamine, 4-(2-(diethylamino)ethoxy)-alpha-methyl-, ethanedioate (1:2) (CAS 126002-23-1), with molecular formula C19H30N2O9 and molecular weight 430.20 g/mol. IUPAC: 1-[4-[2-(diethylamino)ethoxy]phenyl]propan-2-amine;oxalic acid.
Chemical Property Profile of Benzeneethanamine, 4-(2-(diethylamino)ethoxy)-alpha-methyl-, ethanedioate (1:2)
Property Insights of Benzeneethanamine, 4-(2-(diethylamino)ethoxy)-alpha-methyl-, ethanedioate (1:2)
The XLogP value of 0.6081 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneethanamine, 4-(2-(diethylamino)ethoxy)-alpha-methyl-, ethanedioate (1:2). The TPSA of 187.69 Ų indicates high polarity, suggesting Benzeneethanamine, 4-(2-(diethylamino)ethoxy)-alpha-methyl-, ethanedioate (1:2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzeneethanamine, 4-(2-(diethylamino)ethoxy)-alpha-methyl-, ethanedioate (1:2) has 5 hydrogen bond donor(s) and 7 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 Benzeneethanamine, 4-(2-(diethylamino)ethoxy)-alpha-methyl-, ethanedioate (1:2)?
The CAS number of Benzeneethanamine, 4-(2-(diethylamino)ethoxy)-alpha-methyl-, ethanedioate (1:2) is 126002-23-1.
What is the molecular formula of Benzeneethanamine, 4-(2-(diethylamino)ethoxy)-alpha-methyl-, ethanedioate (1:2)?
The molecular formula of Benzeneethanamine, 4-(2-(diethylamino)ethoxy)-alpha-methyl-, ethanedioate (1:2) is C19H30N2O9.
What is the molecular weight of Benzeneethanamine, 4-(2-(diethylamino)ethoxy)-alpha-methyl-, ethanedioate (1:2)?
The molecular weight of Benzeneethanamine, 4-(2-(diethylamino)ethoxy)-alpha-methyl-, ethanedioate (1:2) is 430.20 g/mol.
Where can I buy Benzeneethanamine, 4-(2-(diethylamino)ethoxy)-alpha-methyl-, ethanedioate (1:2)?
You can request a quote for Benzeneethanamine, 4-(2-(diethylamino)ethoxy)-alpha-methyl-, ethanedioate (1:2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneethanamine, 4-(2-(diethylamino)ethoxy)-alpha-methyl-, ethanedioate (1:2)?
Yes, KEHONG BIO provides custom synthesis services for Benzeneethanamine, 4-(2-(diethylamino)ethoxy)-alpha-methyl-, ethanedioate (1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.