苯甲酸铵
TL;DR: 苯甲酸铵 (CAS 1863-63-4) is a chemical compound with molecular formula C7H9NO2 and molecular weight 139.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯甲酸铵
azanium benzoate
Also Known As: AMMONIUM BENZOATE, Ammonii benzoas, Ammonium benzoicum, Vulnoc AB, ammoniumbenzoat
| Molecular Formula | C7H9NO2 |
|---|---|
| Molecular Weight | 139.06 g/mol |
| LogP | 0.43 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 139.06332 |
| Heavy Atoms | 10 |
| Complexity | 98.0 |
| Melting Point | 197.8 °C |
| Boiling Point | 160 °C (SUBLIMES) |
| Density | 1.26 at 25.0 °C |
| Solubility | IN WATER: 19.6 G/100 CC @ 14.5 °C, 83.3 G/100 CC @ 100 °C; IN ALCOHOL: 1.63 G/100 CC @ 25 °C; INSOL IN ETHER |
Chemical Identifiers
| CAS Number | 1863-63-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)[O-].[NH4+] |
| InChIKey | VWSRWGFGAAKTQG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯甲酸铵 (CAS 1863-63-4), with molecular formula C7H9NO2 and molecular weight 139.06 g/mol. IUPAC: azanium benzoate.
Chemical Property Profile of 苯甲酸铵
Property Insights of 苯甲酸铵
The XLogP value of 0.43 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯甲酸铵. With a topological polar surface area (TPSA) of 41.1 Ų, 苯甲酸铵 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯甲酸铵 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 苯甲酸铵?
The CAS number of 苯甲酸铵 is 1863-63-4.
What is the molecular formula of 苯甲酸铵?
The molecular formula of 苯甲酸铵 is C7H9NO2.
What is the molecular weight of 苯甲酸铵?
The molecular weight of 苯甲酸铵 is 139.06 g/mol.
Where can I buy 苯甲酸铵?
You can request a quote for 苯甲酸铵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯甲酸铵?
Yes, KEHONG BIO provides custom synthesis services for 苯甲酸铵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.