TL;DR: Ethylenediamine, N,N-bis(2-chloroethyl)-N',N'-dicyclohexyl-, dihydrochloride (CAS 99000-04-1) is a chemical compound with molecular formula C18H36Cl4N2 and molecular weight 420.16327 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(2-chloroethyl)-[2-(dicyclohexylazaniumyl)ethyl]azanium dichloride
Also Known As: N,N-Bis(2-chloroethyl)-N',N'-dicyclohexylethylenediamine dihydrochloride, ETHYLENEDIAMINE, N,N-BIS(2-CHLOROETHYL)-N',N'-DICYCLOHEXYL-, DIHYDROCHLORIDE, BIS(2-CHLOROETHYL)-(2-DICYCLOHEXYLAMMONIOETHYL)AZANIUM DICHLORIDE, bis(2-chloroethyl)-[2-(dicyclohexylazaniumyl)ethyl]azanium dichloride
| Molecular Formula | C18H36Cl4N2 |
| Molecular Weight | 420.16327 g/mol |
| XLogP | -4.09 |
| Topological Polar Surface Area (TPSA) | 8.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 422.1603 Da |
| Heavy Atoms | 24 |
| Complexity | 252.0 |
| SMILES | C1CCC(CC1)[NH+](CC[NH+](CCCl)CCCl)C2CCCCC2.[Cl-].[Cl-] |
| InChIKey | AWAWJJZVXKGBQX-UHFFFAOYSA-N |
The XLogP value of -4.09 indicates that Ethylenediamine, N,N-bis(2-chloroethyl)-N',N'-dicyclohexyl-, dihydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 8.9 Ų, Ethylenediamine, N,N-bis(2-chloroethyl)-N',N'-dicyclohexyl-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethylenediamine, N,N-bis(2-chloroethyl)-N',N'-dicyclohexyl-, dihydrochloride has 2 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 Ethylenediamine, N,N-bis(2-chloroethyl)-N',N'-dicyclohexyl-, dihydrochloride is 99000-04-1.
The molecular formula of Ethylenediamine, N,N-bis(2-chloroethyl)-N',N'-dicyclohexyl-, dihydrochloride is C18H36Cl4N2.
The molecular weight of Ethylenediamine, N,N-bis(2-chloroethyl)-N',N'-dicyclohexyl-, dihydrochloride is 420.16327 g/mol.
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