Methanaminium, N,N,N-trimethyl-, 2-ethylhexanoate (1:1)
TL;DR: Methanaminium, N,N,N-trimethyl-, 2-ethylhexanoate (1:1) (CAS 58858-96-1) is a chemical compound with molecular formula C12H27NO2 and molecular weight 217.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylhexanoate;tetramethylazanium
Also Known As: 2-ethylhexanoate; tetramethylazanium, Methanaminium, N,N,N-trimethyl-, 2-ethylhexanoate (1:1), Methanaminium, N,N,N-trimethyl-, salt with 2-ethylhexanoic acid (1:1), N,N,N-Trimethylmethanaminium 2-ethylhexanoate, RefChem:156867
| Molecular Formula | C12H27NO2 |
|---|---|
| Molecular Weight | 217.20 g/mol |
| LogP | 1.28 |
| Topological Polar Surface Area | 40.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 217.20418 |
| Heavy Atoms | 15 |
| Complexity | 113.0 |
Chemical Identifiers
| CAS Number | 58858-96-1 |
|---|---|
| SMILES | CCCCC(CC)C(=O)[O-].C[N+](C)(C)C |
| InChIKey | AYCPWULCTAQDNZ-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methanaminium, N,N,N-trimethyl-, 2-ethylhexanoate (1:1) (CAS 58858-96-1), with molecular formula C12H27NO2 and molecular weight 217.20 g/mol. IUPAC: 2-ethylhexanoate;tetramethylazanium.
Chemical Property Profile of Methanaminium, N,N,N-trimethyl-, 2-ethylhexanoate (1:1)
Property Insights of Methanaminium, N,N,N-trimethyl-, 2-ethylhexanoate (1:1)
The XLogP value of 1.28 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methanaminium, N,N,N-trimethyl-, 2-ethylhexanoate (1:1). With a topological polar surface area (TPSA) of 40.1 Ų, Methanaminium, N,N,N-trimethyl-, 2-ethylhexanoate (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methanaminium, N,N,N-trimethyl-, 2-ethylhexanoate (1:1) has 0 hydrogen bond donor(s) and 2 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 Methanaminium, N,N,N-trimethyl-, 2-ethylhexanoate (1:1)?
The CAS number of Methanaminium, N,N,N-trimethyl-, 2-ethylhexanoate (1:1) is 58858-96-1.
What is the molecular formula of Methanaminium, N,N,N-trimethyl-, 2-ethylhexanoate (1:1)?
The molecular formula of Methanaminium, N,N,N-trimethyl-, 2-ethylhexanoate (1:1) is C12H27NO2.
What is the molecular weight of Methanaminium, N,N,N-trimethyl-, 2-ethylhexanoate (1:1)?
The molecular weight of Methanaminium, N,N,N-trimethyl-, 2-ethylhexanoate (1:1) is 217.20 g/mol.
Where can I buy Methanaminium, N,N,N-trimethyl-, 2-ethylhexanoate (1:1)?
You can request a quote for Methanaminium, N,N,N-trimethyl-, 2-ethylhexanoate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methanaminium, N,N,N-trimethyl-, 2-ethylhexanoate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Methanaminium, N,N,N-trimethyl-, 2-ethylhexanoate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.