TL;DR: 1-Butanaminium, N,N,N-tributyl-, salt with N-(2-bromo-4-nitrophenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexanecarboxamide (1:1) (CAS 107350-56-1) is a chemical compound with molecular formula C29H40BrF11N3O3+ and molecular weight 766.20776 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-bromo-4-nitrophenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide;tetrabutylazanium
Also Known As: 1-Butanaminium, N,N,N-tributyl-, salt with N-(2-bromo-4-nitrophenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexanecarboxamide (1:1), N-(2-bromo-4-nitro-phenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluoro-cyclohexane-1-carboxamide; tetrabutylazanium, N-(2-bromo-4-nitro-phenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluoro-cyclohexane-1-carboxamide, N-(2-bromo-4-nitrophenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide,tetrabutylazanium, N-(2-bromo-4-nitrophenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide; tetrabutylazanium
| Molecular Formula | C29H40BrF11N3O3+ |
| Molecular Weight | 766.20776 g/mol |
| XLogP | 10.1978 |
| Topological Polar Surface Area (TPSA) | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 14 |
| Exact Mass | 766.20776 Da |
| Heavy Atoms | 47 |
| Complexity | 828.0 |
| SMILES | CCCC[N+](CCCC)(CCCC)CCCC.C1=CC(=C(C=C1[N+](=O)[O-])Br)NC(=O)C2(C(C(C(C(C2(F)F)(F)F)(F)F)(F)F)(F)F)F |
| InChIKey | WPTJQHMZNBECBN-UHFFFAOYSA-N |
The XLogP value of 10.1978 indicates that 1-Butanaminium, N,N,N-tributyl-, salt with N-(2-bromo-4-nitrophenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexanecarboxamide (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butanaminium, N,N,N-tributyl-, salt with N-(2-bromo-4-nitrophenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexanecarboxamide (1:1). Following Lipinski's Rule of Five, 1-Butanaminium, N,N,N-tributyl-, salt with N-(2-bromo-4-nitrophenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexanecarboxamide (1:1) has 1 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-Butanaminium, N,N,N-tributyl-, salt with N-(2-bromo-4-nitrophenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexanecarboxamide (1:1) is 107350-56-1.
The molecular formula of 1-Butanaminium, N,N,N-tributyl-, salt with N-(2-bromo-4-nitrophenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexanecarboxamide (1:1) is C29H40BrF11N3O3+.
The molecular weight of 1-Butanaminium, N,N,N-tributyl-, salt with N-(2-bromo-4-nitrophenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexanecarboxamide (1:1) is 766.20776 g/mol.
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