Benzoic acid, compd. with cyclohexanamine (1:1)
TL;DR: Benzoic acid, compd. with cyclohexanamine (1:1) (CAS 3129-92-8) is a chemical compound with molecular formula C13H19NO2 and molecular weight 221.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzoic acid;cyclohexanamine
Also Known As: Cyclohexylamine benzoate, Cyclohexanamine benzoate, Cyclohexylammonium benzoate, N-Cyclohexylammonium benzoate, benzoic acid;cyclohexanamine
| Molecular Formula | C13H19NO2 |
|---|---|
| Molecular Weight | 221.14 g/mol |
| LogP | 2.6626 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.14159 |
| Heavy Atoms | 16 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 3129-92-8 |
|---|---|
| SMILES | C1CCC(CC1)N.C1=CC=C(C=C1)C(=O)O |
| InChIKey | CIFYUXXXOJJPOL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, compd. with cyclohexanamine (1:1) (CAS 3129-92-8), with molecular formula C13H19NO2 and molecular weight 221.14 g/mol. IUPAC: benzoic acid;cyclohexanamine.
Chemical Property Profile of Benzoic acid, compd. with cyclohexanamine (1:1)
Property Insights of Benzoic acid, compd. with cyclohexanamine (1:1)
The XLogP value of 2.6626 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, compd. with cyclohexanamine (1:1). The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, compd. with cyclohexanamine (1:1). Following Lipinski's Rule of Five, Benzoic acid, compd. with cyclohexanamine (1:1) has 2 hydrogen bond donor(s) and 3 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 Benzoic acid, compd. with cyclohexanamine (1:1)?
The CAS number of Benzoic acid, compd. with cyclohexanamine (1:1) is 3129-92-8.
What is the molecular formula of Benzoic acid, compd. with cyclohexanamine (1:1)?
The molecular formula of Benzoic acid, compd. with cyclohexanamine (1:1) is C13H19NO2.
What is the molecular weight of Benzoic acid, compd. with cyclohexanamine (1:1)?
The molecular weight of Benzoic acid, compd. with cyclohexanamine (1:1) is 221.14 g/mol.
Where can I buy Benzoic acid, compd. with cyclohexanamine (1:1)?
You can request a quote for Benzoic acid, compd. with cyclohexanamine (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, compd. with cyclohexanamine (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, compd. with cyclohexanamine (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.