TL;DR: DI-2-Propynylamine, N-nitroso- (CAS 26457-81-8) is a chemical compound with molecular formula C6H6N2O and molecular weight 122.04801 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-bis(prop-2-ynyl)nitrous amide
Also Known As: Dipropargylnitrosamine, Di-2-propynylnitrosamine, N-Nitrosodipropargylamine, Di(2-propynyl)nitrosamine, DI-2-PROPYNYLAMINE, N-NITROSO-
| Molecular Formula | C6H6N2O |
| Molecular Weight | 122.04801 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 122.04801 Da |
| Heavy Atoms | 9 |
| Complexity | 162.0 |
| SMILES | C#CCN(CC#C)N=O |
| InChIKey | DGPMVVLTZSLVPR-UHFFFAOYSA-N |
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for DI-2-Propynylamine, N-nitroso-. With a topological polar surface area (TPSA) of 32.7 Ų, DI-2-Propynylamine, N-nitroso- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, DI-2-Propynylamine, N-nitroso- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of DI-2-Propynylamine, N-nitroso- is 26457-81-8.
The molecular formula of DI-2-Propynylamine, N-nitroso- is C6H6N2O.
The molecular weight of DI-2-Propynylamine, N-nitroso- is 122.04801 g/mol.
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