N-(3,4-Dichlorobenzyl)ethanamine
TL;DR: N-(3,4-Dichlorobenzyl)ethanamine (CAS 91308-70-2) is a chemical compound with molecular formula C9H11Cl2N and molecular weight 203.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3,4-dichlorophenyl)methyl]ethanamine
Also Known As: N-(3,4-Dichlorobenzyl)ethanamine, Benzylamine der, N-[(3,4-dichlorophenyl)methyl]ethanamine, (3,4-Dichloro-benzyl)-ethyl-amine, 3,4-Dichloro-N-ethylbenzylamine
| Molecular Formula | C9H11Cl2N |
|---|---|
| Molecular Weight | 203.03 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.02686 |
| Heavy Atoms | 12 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 91308-70-2 |
|---|---|
| SMILES | CCNCC1=CC(=C(C=C1)Cl)Cl |
| InChIKey | DHWBKVYXMBSPIM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(3,4-Dichlorobenzyl)ethanamine (CAS 91308-70-2), with molecular formula C9H11Cl2N and molecular weight 203.03 g/mol. IUPAC: N-[(3,4-dichlorophenyl)methyl]ethanamine.
Chemical Property Profile of N-(3,4-Dichlorobenzyl)ethanamine
Property Insights of N-(3,4-Dichlorobenzyl)ethanamine
The XLogP value of 3.3 indicates that N-(3,4-Dichlorobenzyl)ethanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, N-(3,4-Dichlorobenzyl)ethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3,4-Dichlorobenzyl)ethanamine has 1 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 N-(3,4-Dichlorobenzyl)ethanamine?
The CAS number of N-(3,4-Dichlorobenzyl)ethanamine is 91308-70-2.
What is the molecular formula of N-(3,4-Dichlorobenzyl)ethanamine?
The molecular formula of N-(3,4-Dichlorobenzyl)ethanamine is C9H11Cl2N.
What is the molecular weight of N-(3,4-Dichlorobenzyl)ethanamine?
The molecular weight of N-(3,4-Dichlorobenzyl)ethanamine is 203.03 g/mol.
Where can I buy N-(3,4-Dichlorobenzyl)ethanamine?
You can request a quote for N-(3,4-Dichlorobenzyl)ethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,4-Dichlorobenzyl)ethanamine?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-Dichlorobenzyl)ethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.