TL;DR: N-cyclohexylcyclohexanamine; [dibromo(phosphono)methyl]phosphonic acid (CAS 121151-61-9) is a chemical compound with molecular formula C37H73Br2N3O6P2 and molecular weight 875.33417 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[dibromo(phosphonato)methyl]-hydroxyphosphinate;tris(dicyclohexylazanium)
Also Known As: PHOSPHONIC ACID ANALOG, [dibromo(phosphonato)methyl]-hydroxyphosphinate; dicyclohexylazanium, Dicyclohexylammonium (dibromo(hydroxyoxidophosphoryl)methyl)phosphonate, N-cyclohexylcyclohexanamine; [dibromo(phosphono)methyl]phosphonic acid
| Molecular Formula | C37H73Br2N3O6P2 |
| Molecular Weight | 875.33417 g/mol |
| XLogP | 5.4925 |
| Topological Polar Surface Area (TPSA) | 173.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 875.33417 Da |
| Heavy Atoms | 50 |
| Complexity | 337.0 |
| SMILES | C1CCC(CC1)[NH2+]C2CCCCC2.C1CCC(CC1)[NH2+]C2CCCCC2.C1CCC(CC1)[NH2+]C2CCCCC2.C(P(=O)(O)[O-])(P(=O)([O-])[O-])(Br)Br |
| InChIKey | AZPBUOGBORASKP-UHFFFAOYSA-N |
The XLogP value of 5.4925 indicates that N-cyclohexylcyclohexanamine; [dibromo(phosphono)methyl]phosphonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 173.0 Ų indicates high polarity, suggesting N-cyclohexylcyclohexanamine; [dibromo(phosphono)methyl]phosphonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-cyclohexylcyclohexanamine; [dibromo(phosphono)methyl]phosphonic acid has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-cyclohexylcyclohexanamine; [dibromo(phosphono)methyl]phosphonic acid is 121151-61-9.
The molecular formula of N-cyclohexylcyclohexanamine; [dibromo(phosphono)methyl]phosphonic acid is C37H73Br2N3O6P2.
The molecular weight of N-cyclohexylcyclohexanamine; [dibromo(phosphono)methyl]phosphonic acid is 875.33417 g/mol.
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