2-(氯苄基)乙二胺
TL;DR: 2-(氯苄基)乙二胺 (CAS 6241-46-9) is a chemical compound with molecular formula C9H13ClN2 and molecular weight 184.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(氯苄基)乙二胺
N'-[(2-chlorophenyl)methyl]ethane-1,2-diamine
Also Known As: 2-Chlorobenzylethylenediamine, N-(2-CHLOROBENZYL)ETHANE-1,2-DIAMINE, ETHYLENEDIAMINE, 2-(CHLOROBENZYL)-, (2-aminoethyl)[(2-chlorophenyl)methyl]amine, N-(2-Chlorobenzyl)ethylenediamine
| Molecular Formula | C9H13ClN2 |
|---|---|
| Molecular Weight | 184.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 38.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 184.07672 |
| Heavy Atoms | 12 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 6241-46-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CNCCN)Cl |
| InChIKey | WTGFJEQTHKHUID-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(氯苄基)乙二胺 (CAS 6241-46-9), with molecular formula C9H13ClN2 and molecular weight 184.08 g/mol. IUPAC: N'-[(2-chlorophenyl)methyl]ethane-1,2-diamine.
Chemical Property Profile of 2-(氯苄基)乙二胺
Property Insights of 2-(氯苄基)乙二胺
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(氯苄基)乙二胺. With a topological polar surface area (TPSA) of 38.1 Ų, 2-(氯苄基)乙二胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(氯苄基)乙二胺 has 2 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 2-(氯苄基)乙二胺?
The CAS number of 2-(氯苄基)乙二胺 is 6241-46-9.
What is the molecular formula of 2-(氯苄基)乙二胺?
The molecular formula of 2-(氯苄基)乙二胺 is C9H13ClN2.
What is the molecular weight of 2-(氯苄基)乙二胺?
The molecular weight of 2-(氯苄基)乙二胺 is 184.08 g/mol.
Where can I buy 2-(氯苄基)乙二胺?
You can request a quote for 2-(氯苄基)乙二胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(氯苄基)乙二胺?
Yes, KEHONG BIO provides custom synthesis services for 2-(氯苄基)乙二胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.