2-(Methyl(octan-2-yl)amino)ethyl 4-aminobenzoate--hydrogen chloride (1/1)
TL;DR: 2-(Methyl(octan-2-yl)amino)ethyl 4-aminobenzoate--hydrogen chloride (1/1) (CAS 69780-95-6) is a chemical compound with molecular formula C18H31ClN2O2 and molecular weight 342.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-aminobenzoyl)oxyethyl-methyl-octan-2-ylazanium chloride
Also Known As: Benzoic acid, p-amino-, 2-(N-methyl-N-(1-methylheptyl)amino)ethyl ester, hydrochloride, 2-(4-aminobenzoyl)oxyethyl-methyl-octan-2-ylazanium chloride, p-Aminobenzoic acid 2-(N-methyl-N-(1-methylheptyl)amino)ethyl ester hydrochloride, 2-(Methyl(octan-2-yl)amino)ethyl 4-aminobenzoate--hydrogen chloride (1/1), RefChem:1061883
| Molecular Formula | C18H31ClN2O2 |
|---|---|
| Molecular Weight | 342.21 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 342.2074 |
| Heavy Atoms | 23 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 69780-95-6 |
|---|---|
| SMILES | CCCCCCC(C)[NH+](C)CCOC(=O)C1=CC=C(C=C1)N.[Cl-] |
| InChIKey | JNQYSSFZBXYBHE-UHFFFAOYSA-N |
Product Overview
2-(Methyl(octan-2-yl)amino)ethyl 4-aminobenzoate--hydrogen chloride (1/1) (CAS 69780-95-6), with molecular formula C18H31ClN2O2 and molecular weight 342.21 g/mol. IUPAC: 2-(4-aminobenzoyl)oxyethyl-methyl-octan-2-ylazanium chloride.
Chemical Property Profile of 2-(Methyl(octan-2-yl)amino)ethyl 4-aminobenzoate--hydrogen chloride (1/1)
Property Insights of 2-(Methyl(octan-2-yl)amino)ethyl 4-aminobenzoate--hydrogen chloride (1/1)
The XLogP value of -0.7 indicates that 2-(Methyl(octan-2-yl)amino)ethyl 4-aminobenzoate--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 56.8 Ų, 2-(Methyl(octan-2-yl)amino)ethyl 4-aminobenzoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Methyl(octan-2-yl)amino)ethyl 4-aminobenzoate--hydrogen chloride (1/1) has 2 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 2-(Methyl(octan-2-yl)amino)ethyl 4-aminobenzoate--hydrogen chloride (1/1)?
The CAS number of 2-(Methyl(octan-2-yl)amino)ethyl 4-aminobenzoate--hydrogen chloride (1/1) is 69780-95-6.
What is the molecular formula of 2-(Methyl(octan-2-yl)amino)ethyl 4-aminobenzoate--hydrogen chloride (1/1)?
The molecular formula of 2-(Methyl(octan-2-yl)amino)ethyl 4-aminobenzoate--hydrogen chloride (1/1) is C18H31ClN2O2.
What is the molecular weight of 2-(Methyl(octan-2-yl)amino)ethyl 4-aminobenzoate--hydrogen chloride (1/1)?
The molecular weight of 2-(Methyl(octan-2-yl)amino)ethyl 4-aminobenzoate--hydrogen chloride (1/1) is 342.21 g/mol.
Where can I buy 2-(Methyl(octan-2-yl)amino)ethyl 4-aminobenzoate--hydrogen chloride (1/1)?
You can request a quote for 2-(Methyl(octan-2-yl)amino)ethyl 4-aminobenzoate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methyl(octan-2-yl)amino)ethyl 4-aminobenzoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methyl(octan-2-yl)amino)ethyl 4-aminobenzoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.