Benzylamine, N,N-bis(2-chloroethyl)-2,4,5-trimethyl-
TL;DR: Benzylamine, N,N-bis(2-chloroethyl)-2,4,5-trimethyl- (CAS 30389-88-9) is a chemical compound with molecular formula C14H21Cl2N and molecular weight 273.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(2-chloroethyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
Also Known As: N,N-Bis(2-chloroethyl)-2,4,5-trimethylbenzylamine, BENZYLAMINE, N,N-BIS(2-CHLOROETHYL)-2,4,5-TRIMETHYL-, 4-12-00-02852 (Beilstein Handbook Reference), Benzenemethanamine, N,N-bis(2-chloroethyl)-2,4,5-trimethyl-, 2-Chloro-N-(2-chloroethyl)-N-[(2,4,5-trimethylphenyl)methyl]ethan-1-amine
| Molecular Formula | C14H21Cl2N |
|---|---|
| Molecular Weight | 273.11 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 273.1051 |
| Heavy Atoms | 17 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 30389-88-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C)CN(CCCl)CCCl)C |
| InChIKey | HLRYARIRUPVGHR-UHFFFAOYSA-N |
Product Overview
Benzylamine, N,N-bis(2-chloroethyl)-2,4,5-trimethyl- (CAS 30389-88-9), with molecular formula C14H21Cl2N and molecular weight 273.11 g/mol. IUPAC: 2-chloro-N-(2-chloroethyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine.
Chemical Property Profile of Benzylamine, N,N-bis(2-chloroethyl)-2,4,5-trimethyl-
Property Insights of Benzylamine, N,N-bis(2-chloroethyl)-2,4,5-trimethyl-
The XLogP value of 4.0 indicates that Benzylamine, N,N-bis(2-chloroethyl)-2,4,5-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)-2,4,5-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylamine, N,N-bis(2-chloroethyl)-2,4,5-trimethyl- 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
Frequently Asked Questions
What is the CAS number of Benzylamine, N,N-bis(2-chloroethyl)-2,4,5-trimethyl-?
The CAS number of Benzylamine, N,N-bis(2-chloroethyl)-2,4,5-trimethyl- is 30389-88-9.
What is the molecular formula of Benzylamine, N,N-bis(2-chloroethyl)-2,4,5-trimethyl-?
The molecular formula of Benzylamine, N,N-bis(2-chloroethyl)-2,4,5-trimethyl- is C14H21Cl2N.
What is the molecular weight of Benzylamine, N,N-bis(2-chloroethyl)-2,4,5-trimethyl-?
The molecular weight of Benzylamine, N,N-bis(2-chloroethyl)-2,4,5-trimethyl- is 273.11 g/mol.
Where can I buy Benzylamine, N,N-bis(2-chloroethyl)-2,4,5-trimethyl-?
You can request a quote for Benzylamine, N,N-bis(2-chloroethyl)-2,4,5-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzylamine, N,N-bis(2-chloroethyl)-2,4,5-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzylamine, N,N-bis(2-chloroethyl)-2,4,5-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.