2-Dimethylaminomethylcyclohexyl benzoate
TL;DR: 2-Dimethylaminomethylcyclohexyl benzoate (CAS 1173081-96-3) is a chemical compound with molecular formula C16H23NO2 and molecular weight 261.17288 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1S,2S)-2-[(dimethylamino)methyl]cyclohexyl] benzoate
Also Known As: Damc-benzoate, 2-Dimethylaminomethylcyclohexyl benzoate, [2-[(dimethylamino)methyl]cyclohexyl] benzoate, 2-[(DIMETHYLAMINO)METHYL]CYCLOHEXYL BENZOATE, (1S,2S)-2-[(Dimethylamino)methyl]cyclohexyl benzoate
Technical Specifications
| Molecular Formula | C16H23NO2 |
| Molecular Weight | 261.17288 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 261.17288 Da |
| Heavy Atoms | 19 |
| Complexity | 284.0 |
| SMILES | CN(C)C[C@@H]1CCCC[C@@H]1OC(=O)C2=CC=CC=C2 |
| InChIKey | OYIQBJVQPZHJHK-GJZGRUSLSA-N |
Chemical Property Profile of 2-Dimethylaminomethylcyclohexyl benzoate
Property Insights of 2-Dimethylaminomethylcyclohexyl benzoate
The XLogP value of 3.5 indicates that 2-Dimethylaminomethylcyclohexyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 2-Dimethylaminomethylcyclohexyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Dimethylaminomethylcyclohexyl benzoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Dimethylaminomethylcyclohexyl benzoate?
The CAS number of 2-Dimethylaminomethylcyclohexyl benzoate is 1173081-96-3.
What is the molecular formula of 2-Dimethylaminomethylcyclohexyl benzoate?
The molecular formula of 2-Dimethylaminomethylcyclohexyl benzoate is C16H23NO2.
What is the molecular weight of 2-Dimethylaminomethylcyclohexyl benzoate?
The molecular weight of 2-Dimethylaminomethylcyclohexyl benzoate is 261.17288 g/mol.
Where can I buy 2-Dimethylaminomethylcyclohexyl benzoate?
You can request a quote for 2-Dimethylaminomethylcyclohexyl benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Dimethylaminomethylcyclohexyl benzoate?
Yes, CoreyChem provides custom synthesis services for 2-Dimethylaminomethylcyclohexyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.