TL;DR: Butanimidoyl chloride,N-[[(diethylamino)carbonyl]oxy]- (CAS 134871-02-6) is a chemical compound with molecular formula C9H17ClN2O2 and molecular weight 220.09785 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1-chlorobutylideneamino) N,N-diethylcarbamate
Also Known As: (1-CHLOROBUTYLIDENEAMINO) N,N-DIETHYLCARBAMATE, Butanimidoyl chloride,N-[[(diethylamino)carbonyl]oxy]-, N-(((Diethylamino)carbonyl)oxy)butanimidoyl chloride, Butanimidoyl chloride, N-(((diethylamino)carbonyl)oxy)-
| Molecular Formula | C9H17ClN2O2 |
| Molecular Weight | 220.09785 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 220.09785 Da |
| Heavy Atoms | 14 |
| Complexity | 203.0 |
| SMILES | CCCC(=NOC(=O)N(CC)CC)Cl |
| InChIKey | NHCLJLUJYIGMNC-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanimidoyl chloride,N-[[(diethylamino)carbonyl]oxy]-. With a topological polar surface area (TPSA) of 41.9 Ų, Butanimidoyl chloride,N-[[(diethylamino)carbonyl]oxy]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanimidoyl chloride,N-[[(diethylamino)carbonyl]oxy]- 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 Butanimidoyl chloride,N-[[(diethylamino)carbonyl]oxy]- is 134871-02-6.
The molecular formula of Butanimidoyl chloride,N-[[(diethylamino)carbonyl]oxy]- is C9H17ClN2O2.
The molecular weight of Butanimidoyl chloride,N-[[(diethylamino)carbonyl]oxy]- is 220.09785 g/mol.
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