TL;DR: 1,9-Nonanediamine, N,N'-bis(2-chloroethyl)-N,N'-dimethyl- (CAS 101832-22-8) is a chemical compound with molecular formula C15H32Cl2N2 and molecular weight 310.19424 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N'-bis(2-chloroethyl)-N,N'-dimethylnonane-1,9-diamine
Also Known As: 4-04-00-01364 (Beilstein Handbook Reference), 1,9-NONANEDIAMINE, N,N'-BIS(2-CHLOROETHYL)-N,N'-DIMETHYL-, N,N'-Bis(2-chloroethyl)-N,N'-dimethyl-1,9-nonanediamine, N,N'-bis(2-chloroethyl)-N,N'-dimethylnonane-1,9-diamine, N,N -Bis(2-chloroethyl)-N,N -dimethyl-1,9-nonanediamine
| Molecular Formula | C15H32Cl2N2 |
| Molecular Weight | 310.19424 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 14 |
| Exact Mass | 310.19424 Da |
| Heavy Atoms | 19 |
| Complexity | 162.0 |
| SMILES | CN(CCCCCCCCCN(C)CCCl)CCCl |
| InChIKey | NEVZRLPGIKOXTN-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that 1,9-Nonanediamine, N,N'-bis(2-chloroethyl)-N,N'-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.5 Ų, 1,9-Nonanediamine, N,N'-bis(2-chloroethyl)-N,N'-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,9-Nonanediamine, N,N'-bis(2-chloroethyl)-N,N'-dimethyl- 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 1,9-Nonanediamine, N,N'-bis(2-chloroethyl)-N,N'-dimethyl- is 101832-22-8.
The molecular formula of 1,9-Nonanediamine, N,N'-bis(2-chloroethyl)-N,N'-dimethyl- is C15H32Cl2N2.
The molecular weight of 1,9-Nonanediamine, N,N'-bis(2-chloroethyl)-N,N'-dimethyl- is 310.19424 g/mol.
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