N,N-Bis(2-chloroethyl)-o-methylbenzylamine
TL;DR: N,N-Bis(2-chloroethyl)-o-methylbenzylamine (CAS 30377-48-1) is a chemical compound with molecular formula C12H17Cl2N and molecular weight 245.0738 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-N-(2-chloroethyl)-N-[(2-methylphenyl)methyl]ethanamine
Also Known As: o-Methyl-dcba, NCIOpen2_003196, N,N-Bis(2-chloroethyl)-o-methylbenzylamine, N,N-Bis -o-methylbenzylamine, o-Methyl-di-(2-chloroethyl)-benzylamine
Technical Specifications
| Molecular Formula | C12H17Cl2N |
| Molecular Weight | 245.0738 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 245.0738 Da |
| Heavy Atoms | 15 |
| Complexity | 158.0 |
| SMILES | CC1=CC=CC=C1CN(CCCl)CCCl |
| InChIKey | ZTVWBPHEDHURJC-UHFFFAOYSA-N |
Chemical Property Profile of N,N-Bis(2-chloroethyl)-o-methylbenzylamine
Property Insights of N,N-Bis(2-chloroethyl)-o-methylbenzylamine
The XLogP value of 3.3 indicates that N,N-Bis(2-chloroethyl)-o-methylbenzylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, N,N-Bis(2-chloroethyl)-o-methylbenzylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Bis(2-chloroethyl)-o-methylbenzylamine has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N,N-Bis(2-chloroethyl)-o-methylbenzylamine?
The CAS number of N,N-Bis(2-chloroethyl)-o-methylbenzylamine is 30377-48-1.
What is the molecular formula of N,N-Bis(2-chloroethyl)-o-methylbenzylamine?
The molecular formula of N,N-Bis(2-chloroethyl)-o-methylbenzylamine is C12H17Cl2N.
What is the molecular weight of N,N-Bis(2-chloroethyl)-o-methylbenzylamine?
The molecular weight of N,N-Bis(2-chloroethyl)-o-methylbenzylamine is 245.0738 g/mol.
Where can I buy N,N-Bis(2-chloroethyl)-o-methylbenzylamine?
You can request a quote for N,N-Bis(2-chloroethyl)-o-methylbenzylamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N,N-Bis(2-chloroethyl)-o-methylbenzylamine?
Yes, CoreyChem provides custom synthesis services for N,N-Bis(2-chloroethyl)-o-methylbenzylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.