1-undecanaminium, 1-carboxy-n,n,n-trimethyl-, inner salt
TL;DR: 1-undecanaminium, 1-carboxy-n,n,n-trimethyl-, inner salt (CAS 96-55-9) is a chemical compound with molecular formula C15H31NO2 and molecular weight 257.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(trimethylazaniumyl)dodecanoate
Also Known As: Decyl betaine, 2-(trimethylammonio)dodecanoate, 2-(trimethylazaniumyl)dodecanoate, (1-Carboxylatoundecyl)trimethylammonium, 1-Undecanaminium, 1-carboxy-N,N,N-trimethyl-, inner salt
| Molecular Formula | C15H31NO2 |
|---|---|
| Molecular Weight | 257.24 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 40.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 257.23547 |
| Heavy Atoms | 18 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 96-55-9 |
|---|---|
| SMILES | CCCCCCCCCCC(C(=O)[O-])[N+](C)(C)C |
| InChIKey | ZVZRHYNDLMSKIV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-undecanaminium, 1-carboxy-n,n,n-trimethyl-, inner salt (CAS 96-55-9), with molecular formula C15H31NO2 and molecular weight 257.24 g/mol. IUPAC: 2-(trimethylazaniumyl)dodecanoate.
Chemical Property Profile of 1-undecanaminium, 1-carboxy-n,n,n-trimethyl-, inner salt
Property Insights of 1-undecanaminium, 1-carboxy-n,n,n-trimethyl-, inner salt
The XLogP value of 5.6 indicates that 1-undecanaminium, 1-carboxy-n,n,n-trimethyl-, inner salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.1 Ų, 1-undecanaminium, 1-carboxy-n,n,n-trimethyl-, inner salt exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-undecanaminium, 1-carboxy-n,n,n-trimethyl-, inner salt has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-undecanaminium, 1-carboxy-n,n,n-trimethyl-, inner salt?
The CAS number of 1-undecanaminium, 1-carboxy-n,n,n-trimethyl-, inner salt is 96-55-9.
What is the molecular formula of 1-undecanaminium, 1-carboxy-n,n,n-trimethyl-, inner salt?
The molecular formula of 1-undecanaminium, 1-carboxy-n,n,n-trimethyl-, inner salt is C15H31NO2.
What is the molecular weight of 1-undecanaminium, 1-carboxy-n,n,n-trimethyl-, inner salt?
The molecular weight of 1-undecanaminium, 1-carboxy-n,n,n-trimethyl-, inner salt is 257.24 g/mol.
Where can I buy 1-undecanaminium, 1-carboxy-n,n,n-trimethyl-, inner salt?
You can request a quote for 1-undecanaminium, 1-carboxy-n,n,n-trimethyl-, inner salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-undecanaminium, 1-carboxy-n,n,n-trimethyl-, inner salt?
Yes, KEHONG BIO provides custom synthesis services for 1-undecanaminium, 1-carboxy-n,n,n-trimethyl-, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.