Phenylmethanaminium acetate
TL;DR: Phenylmethanaminium acetate (CAS 2182-52-7) is a chemical compound with molecular formula C9H13NO2 and molecular weight 167.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzylazanium acetate
Also Known As: Benzylammonium acetate, benzylammoniumacetate, benzylazanium acetate, Phenylmethanaminium acetate
| Molecular Formula | C9H13NO2 |
|---|---|
| Molecular Weight | 167.09 g/mol |
| LogP | -0.8153 |
| Topological Polar Surface Area | 67.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.09464 |
| Heavy Atoms | 12 |
| Complexity | 217.22997 |
Chemical Identifiers
| CAS Number | 2182-52-7 |
|---|---|
| SMILES | CC(=O)[O-].C1=CC=C(C=C1)C[NH3+] |
Product Overview
Phenylmethanaminium acetate (CAS 2182-52-7), with molecular formula C9H13NO2 and molecular weight 167.09 g/mol. IUPAC: benzylazanium acetate.
Chemical Property Profile of Phenylmethanaminium acetate
Property Insights of Phenylmethanaminium acetate
The XLogP value of -0.8153 indicates that Phenylmethanaminium acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenylmethanaminium acetate. Following Lipinski's Rule of Five, Phenylmethanaminium acetate has 1 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 Phenylmethanaminium acetate?
The CAS number of Phenylmethanaminium acetate is 2182-52-7.
What is the molecular formula of Phenylmethanaminium acetate?
The molecular formula of Phenylmethanaminium acetate is C9H13NO2.
What is the molecular weight of Phenylmethanaminium acetate?
The molecular weight of Phenylmethanaminium acetate is 167.09 g/mol.
Where can I buy Phenylmethanaminium acetate?
You can request a quote for Phenylmethanaminium acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylmethanaminium acetate?
Yes, KEHONG BIO provides custom synthesis services for Phenylmethanaminium acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.