4-氯-N-(2-氯乙基)-N-乙基苄胺
TL;DR: 4-氯-N-(2-氯乙基)-N-乙基苄胺 (CAS 100427-82-5) is a chemical compound with molecular formula C11H15Cl2N and molecular weight 231.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氯-N-(2-氯乙基)-N-乙基苄胺
2-chloro-N-[(4-chlorophenyl)methyl]-N-ethylethanamine
Also Known As: p-Chloro-N-(2-chloroethyl)-N-ethylbenzylamine, BENZYLAMINE, p-CHLORO-N-(2-CHLOROETHYL)-N-ETHYL-, 2-chloro-N-[(4-chlorophenyl)methyl]-N-ethylethanamine, 4-Chloro-N-(2-chloroethyl)-N-ethylbenzenemethanamine, (2-CHLOROETHYL)[(4-CHLOROPHENYL)METHYL]ETHYLAMINE
| Molecular Formula | C11H15Cl2N |
|---|---|
| Molecular Weight | 231.06 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 231.05815 |
| Heavy Atoms | 14 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 100427-82-5 |
|---|---|
| SMILES | CCN(CCCl)CC1=CC=C(C=C1)Cl |
| InChIKey | DQVHBIDSEFMVEU-UHFFFAOYSA-N |
Product Overview
4-氯-N-(2-氯乙基)-N-乙基苄胺 (CAS 100427-82-5), with molecular formula C11H15Cl2N and molecular weight 231.06 g/mol. IUPAC: 2-chloro-N-[(4-chlorophenyl)methyl]-N-ethylethanamine.
Chemical Property Profile of 4-氯-N-(2-氯乙基)-N-乙基苄胺
Property Insights of 4-氯-N-(2-氯乙基)-N-乙基苄胺
The XLogP value of 3.3 indicates that 对氯-N-(2-氯乙基)-N-乙基苄胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, 4-氯-N-(2-氯乙基)-N-乙基苄胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 对氯-N-(2-氯乙基)-N-乙基苄胺 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 对氯-N-(2-氯乙基)-N-乙基苄胺?
The CAS number of 对氯-N-(2-氯乙基)-N-乙基苄胺 is 100427-82-5.
What is the molecular formula of 对氯-N-(2-氯乙基)-N-乙基苄胺?
The molecular formula of 对氯-N-(2-氯乙基)-N-乙基苄胺 is C11H15Cl2N.
What is the molecular weight of 对氯-N-(2-氯乙基)-N-乙基苄胺?
The molecular weight of 对氯-N-(2-氯乙基)-N-乙基苄胺 is 231.06 g/mol.
Where can I buy 对氯-N-(2-氯乙基)-N-乙基苄胺?
You can request a quote for 对氯-N-(2-氯乙基)-N-乙基苄胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对氯-N-(2-氯乙基)-N-乙基苄胺?
Yes, KEHONG BIO provides custom synthesis services for 对氯-N-(2-氯乙基)-N-乙基苄胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.