benzenaminium, 3-carboxy-n,n,n-trimethyl-, inner salt
TL;DR: benzenaminium, 3-carboxy-n,n,n-trimethyl-, inner salt (CAS 33192-03-9) is a chemical compound with molecular formula C10H13NO2 and molecular weight 179.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(trimethylazaniumyl)benzoate
Also Known As: m-Benzbetaine, 3-(trimethylazaniumyl)benzoate, 3-(Trimethylaminio)benzoic acidanion, 3-Carboxylato-N,N,N-trimethylbenzenaminium, Benzenaminium, 3-carboxy-N,N,N-trimethyl-, inner salt
| Molecular Formula | C10H13NO2 |
|---|---|
| Molecular Weight | 179.09 g/mol |
| LogP | 0.2468 |
| Topological Polar Surface Area | 40.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.09464 |
| Heavy Atoms | 13 |
| Complexity | 325.94177 |
Chemical Identifiers
| CAS Number | 33192-03-9 |
|---|---|
| SMILES | C[N+](C)(C)C1=CC=CC(=C1)C(=O)[O-] |
Product Overview
benzenaminium, 3-carboxy-n,n,n-trimethyl-, inner salt (CAS 33192-03-9), with molecular formula C10H13NO2 and molecular weight 179.09 g/mol. IUPAC: 3-(trimethylazaniumyl)benzoate.
Chemical Property Profile of benzenaminium, 3-carboxy-n,n,n-trimethyl-, inner salt
Property Insights of benzenaminium, 3-carboxy-n,n,n-trimethyl-, inner salt
The XLogP value of 0.2468 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzenaminium, 3-carboxy-n,n,n-trimethyl-, inner salt. With a topological polar surface area (TPSA) of 40.13 Ų, benzenaminium, 3-carboxy-n,n,n-trimethyl-, inner salt exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, benzenaminium, 3-carboxy-n,n,n-trimethyl-, inner salt 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 benzenaminium, 3-carboxy-n,n,n-trimethyl-, inner salt?
The CAS number of benzenaminium, 3-carboxy-n,n,n-trimethyl-, inner salt is 33192-03-9.
What is the molecular formula of benzenaminium, 3-carboxy-n,n,n-trimethyl-, inner salt?
The molecular formula of benzenaminium, 3-carboxy-n,n,n-trimethyl-, inner salt is C10H13NO2.
What is the molecular weight of benzenaminium, 3-carboxy-n,n,n-trimethyl-, inner salt?
The molecular weight of benzenaminium, 3-carboxy-n,n,n-trimethyl-, inner salt is 179.09 g/mol.
Where can I buy benzenaminium, 3-carboxy-n,n,n-trimethyl-, inner salt?
You can request a quote for benzenaminium, 3-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 benzenaminium, 3-carboxy-n,n,n-trimethyl-, inner salt?
Yes, KEHONG BIO provides custom synthesis services for benzenaminium, 3-carboxy-n,n,n-trimethyl-, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.