TL;DR: Triethylamine, 2',2''-dichloro-1,1-dimethyl- (CAS 10125-86-7) is a chemical compound with molecular formula C8H17Cl2N and molecular weight 197.0738 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-bis(2-chloroethyl)-2-methylpropan-2-amine
Also Known As: N,N-bis(2-chloroethyl)-2-methylpropan-2-amine, 2',1-(dimethyltriethyl)amine, N-t-butylbis(2-chloroethyl)amine, 2',2''-Dichloro-1,1-dimethyltriethylamine, Triethylamine, 2',2''-dichloro-1,1-dimethyl-
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C8H17Cl2N |
| Molecular Weight | 197.0738 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 197.0738 Da |
| Heavy Atoms | 11 |
| Complexity | 92.0 |
| SMILES | CC(C)(C)N(CCCl)CCCl |
| InChIKey | BSXSSXPCEVBUSF-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triethylamine, 2',2''-dichloro-1,1-dimethyl-. With a topological polar surface area (TPSA) of 3.2 Ų, Triethylamine, 2',2''-dichloro-1,1-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Triethylamine, 2',2''-dichloro-1,1-dimethyl- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Triethylamine, 2',2''-dichloro-1,1-dimethyl- is 10125-86-7.
The molecular formula of Triethylamine, 2',2''-dichloro-1,1-dimethyl- is C8H17Cl2N.
The molecular weight of Triethylamine, 2',2''-dichloro-1,1-dimethyl- is 197.0738 g/mol.
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