N-[(4-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
TL;DR: N-[(4-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine (CAS 84434-83-3) is a chemical compound with molecular formula C13H21ClN2 and molecular weight 240.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
Also Known As: [(4-chlorophenyl)methyl][2-(diethylamino)ethyl]amine|N-[(4-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine|N1-(4-chlorobenzyl)-N2,N2-diethylethane-1,2-diamine|(4-chlorophenyl)methyl2-(diethylamino)ethylamine|N,N-Diaethyl-N'-<4-chlor-benzyl>-aethylendiamin|N'-(4-CHLOROBENZYL)-N,N-DIETHYLETHYLENEDIAMINE|N-[(4-chlorophenyl)methyl]-N',N'-diethyl-ethane-1,2-diamine|N~2~-[(4-Chlorophenyl)methyl]-N~1~,N~1~-diethylethane-1,2-diamine|QMHPWYDPGOPWPA-UHFFFAOYSA-N|EN300-254381
| Molecular Formula | C13H21ClN2 |
|---|---|
| Molecular Weight | 240.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 15.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 240.13933 |
| Heavy Atoms | 16 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 84434-83-3 |
|---|---|
| SMILES | CCN(CC)CCNCC1=CC=C(C=C1)Cl |
| InChIKey | QMHPWYDPGOPWPA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-[(4-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine (CAS 84434-83-3), with molecular formula C13H21ClN2 and molecular weight 240.14 g/mol. IUPAC: N-[(4-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine.
Chemical Property Profile of N-[(4-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
Property Insights of N-[(4-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(4-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine. With a topological polar surface area (TPSA) of 15.3 Ų, N-[(4-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(4-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine has 1 hydrogen bond donor(s) and 2 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-[(4-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine?
The CAS number of N-[(4-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine is 84434-83-3.
What is the molecular formula of N-[(4-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine?
The molecular formula of N-[(4-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine is C13H21ClN2.
What is the molecular weight of N-[(4-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine?
The molecular weight of N-[(4-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine is 240.14 g/mol.
Where can I buy N-[(4-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine?
You can request a quote for N-[(4-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.