benzenaminium, 2-hydroxy-n,n,n-trimethyl-, hydroxide, inner salt
TL;DR: benzenaminium, 2-hydroxy-n,n,n-trimethyl-, hydroxide, inner salt (CAS 31061-58-2) is a chemical compound with molecular formula C9H13NO and molecular weight 151.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(trimethylazaniumyl)phenolate
Also Known As: 2-(trimethylazaniumyl)phenolate, N(C)(C)(C)c1ccccc1O, Ammonium, hydroxide, inner salt, Trimethyl(2-oxylatophenyl)aminium, 2-(trimethylazaniumyl)benzen-1-olate
| Molecular Formula | C9H13NO |
|---|---|
| Molecular Weight | 151.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 23.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 151.09972 |
| Heavy Atoms | 11 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 31061-58-2 |
|---|---|
| SMILES | C[N+](C)(C)C1=CC=CC=C1[O-] |
| InChIKey | VDAMZFHTCKFXBJ-UHFFFAOYSA-N |
Product Overview
benzenaminium, 2-hydroxy-n,n,n-trimethyl-, hydroxide, inner salt (CAS 31061-58-2), with molecular formula C9H13NO and molecular weight 151.10 g/mol. IUPAC: 2-(trimethylazaniumyl)phenolate.
Chemical Property Profile of benzenaminium, 2-hydroxy-n,n,n-trimethyl-, hydroxide, inner salt
Property Insights of benzenaminium, 2-hydroxy-n,n,n-trimethyl-, hydroxide, inner salt
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzenaminium, 2-hydroxy-n,n,n-trimethyl-, hydroxide, inner salt. With a topological polar surface area (TPSA) of 23.1 Ų, benzenaminium, 2-hydroxy-n,n,n-trimethyl-, hydroxide, inner salt exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, benzenaminium, 2-hydroxy-n,n,n-trimethyl-, hydroxide, inner salt has 0 hydrogen bond donor(s) and 1 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, 2-hydroxy-n,n,n-trimethyl-, hydroxide, inner salt?
The CAS number of benzenaminium, 2-hydroxy-n,n,n-trimethyl-, hydroxide, inner salt is 31061-58-2.
What is the molecular formula of benzenaminium, 2-hydroxy-n,n,n-trimethyl-, hydroxide, inner salt?
The molecular formula of benzenaminium, 2-hydroxy-n,n,n-trimethyl-, hydroxide, inner salt is C9H13NO.
What is the molecular weight of benzenaminium, 2-hydroxy-n,n,n-trimethyl-, hydroxide, inner salt?
The molecular weight of benzenaminium, 2-hydroxy-n,n,n-trimethyl-, hydroxide, inner salt is 151.10 g/mol.
Where can I buy benzenaminium, 2-hydroxy-n,n,n-trimethyl-, hydroxide, inner salt?
You can request a quote for benzenaminium, 2-hydroxy-n,n,n-trimethyl-, hydroxide, 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, 2-hydroxy-n,n,n-trimethyl-, hydroxide, inner salt?
Yes, KEHONG BIO provides custom synthesis services for benzenaminium, 2-hydroxy-n,n,n-trimethyl-, hydroxide, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.