TL;DR: N,N-dimethyl-2-(3-prop-2-ynylimidazol-1-ium-1-yl)acetamide bromide (CAS 1035960-38-3) is a chemical compound with molecular formula C10H14BrN3O and molecular weight 271.032 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-dimethyl-2-(3-prop-2-ynylimidazol-1-ium-1-yl)acetamide bromide
Also Known As: N,N-dimethyl-2-(3-prop-2-ynylimidazol-1-ium-1-yl)acetamide bromide, 1-(2-(dimethylamino)-2-oxoethyl)-3-(prop-2-yn-1-yl)-1H-imidazol-3-ium bromide
| Molecular Formula | C10H14BrN3O |
| Molecular Weight | 271.032 g/mol |
| XLogP | -3.499 |
| Topological Polar Surface Area (TPSA) | 29.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.032 Da |
| Heavy Atoms | 15 |
| Complexity | 253.0 |
| SMILES | CN(C)C(=O)C[N+]1=CN(C=C1)CC#C.[Br-] |
| InChIKey | FCULSRUHGNOIRJ-UHFFFAOYSA-M |
The XLogP value of -3.499 indicates that N,N-dimethyl-2-(3-prop-2-ynylimidazol-1-ium-1-yl)acetamide bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 29.1 Ų, N,N-dimethyl-2-(3-prop-2-ynylimidazol-1-ium-1-yl)acetamide bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-dimethyl-2-(3-prop-2-ynylimidazol-1-ium-1-yl)acetamide bromide has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N,N-dimethyl-2-(3-prop-2-ynylimidazol-1-ium-1-yl)acetamide bromide is 1035960-38-3.
The molecular formula of N,N-dimethyl-2-(3-prop-2-ynylimidazol-1-ium-1-yl)acetamide bromide is C10H14BrN3O.
The molecular weight of N,N-dimethyl-2-(3-prop-2-ynylimidazol-1-ium-1-yl)acetamide bromide is 271.032 g/mol.
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