TL;DR: Benzylamine, N,N-bis(2-chloroethyl)-2,4,6-trimethyl- (CAS 30377-47-0) is a chemical compound with molecular formula C14H21Cl2N and molecular weight 273.1051 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-N-(2-chloroethyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
Also Known As: N,N-Bis(2-chloroethyl)-2,4,6-trimethylbenzylamine, BENZYLAMINE, N,N-BIS(2-CHLOROETHYL)-2,4,6-TRIMETHYL-, 4-12-00-02850 (Beilstein Handbook Reference), Benzenemethanamine, N,N-bis(2-chloroethyl)-2,4,6-trimethyl-, Bis(2-chloroethyl)-2,4,6-trimethylbenzylamine, N,N-
| Molecular Formula | C14H21Cl2N |
| Molecular Weight | 273.1051 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 273.1051 Da |
| Heavy Atoms | 17 |
| Complexity | 192.0 |
| SMILES | CC1=CC(=C(C(=C1)C)CN(CCCl)CCCl)C |
| InChIKey | HZOUHWGHLWJZBJ-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that Benzylamine, N,N-bis(2-chloroethyl)-2,4,6-trimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, Benzylamine, N,N-bis(2-chloroethyl)-2,4,6-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylamine, N,N-bis(2-chloroethyl)-2,4,6-trimethyl- 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 Benzylamine, N,N-bis(2-chloroethyl)-2,4,6-trimethyl- is 30377-47-0.
The molecular formula of Benzylamine, N,N-bis(2-chloroethyl)-2,4,6-trimethyl- is C14H21Cl2N.
The molecular weight of Benzylamine, N,N-bis(2-chloroethyl)-2,4,6-trimethyl- is 273.1051 g/mol.
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