2,4-Dichloro-N-2-propyn-1-ylbenzenemethanamine
TL;DR: 2,4-Dichloro-N-2-propyn-1-ylbenzenemethanamine (CAS 5031-76-5) is a chemical compound with molecular formula C10H9Cl2N and molecular weight 213.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2,4-dichlorophenyl)methyl]prop-2-yn-1-amine
Also Known As: N-(2,4-dichlorobenzyl)prop-2-yn-1-amine, N-(2,4-DICHLOROBENZYL)PROPARGYLAMINE, N-[(2,4-dichlorophenyl)methyl]prop-2-yn-1-amine, [(2,4-dichlorophenyl)methyl](prop-2-yn-1-yl)amine, 2,4-Dichloro-N-2-propyn-1-ylbenzenemethanamine
| Molecular Formula | C10H9Cl2N |
|---|---|
| Molecular Weight | 213.01 g/mol |
| LogP | 2.7162 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.0112 |
| Heavy Atoms | 13 |
| Complexity | 328.1869 |
Chemical Identifiers
| CAS Number | 5031-76-5 |
|---|---|
| SMILES | C#CCNCC1=C(C=C(C=C1)Cl)Cl |
Product Overview
2,4-Dichloro-N-2-propyn-1-ylbenzenemethanamine (CAS 5031-76-5), with molecular formula C10H9Cl2N and molecular weight 213.01 g/mol. IUPAC: N-[(2,4-dichlorophenyl)methyl]prop-2-yn-1-amine.
Chemical Property Profile of 2,4-Dichloro-N-2-propyn-1-ylbenzenemethanamine
Property Insights of 2,4-Dichloro-N-2-propyn-1-ylbenzenemethanamine
The XLogP value of 2.7162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dichloro-N-2-propyn-1-ylbenzenemethanamine. With a topological polar surface area (TPSA) of 12.03 Ų, 2,4-Dichloro-N-2-propyn-1-ylbenzenemethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dichloro-N-2-propyn-1-ylbenzenemethanamine 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 2,4-Dichloro-N-2-propyn-1-ylbenzenemethanamine?
The CAS number of 2,4-Dichloro-N-2-propyn-1-ylbenzenemethanamine is 5031-76-5.
What is the molecular formula of 2,4-Dichloro-N-2-propyn-1-ylbenzenemethanamine?
The molecular formula of 2,4-Dichloro-N-2-propyn-1-ylbenzenemethanamine is C10H9Cl2N.
What is the molecular weight of 2,4-Dichloro-N-2-propyn-1-ylbenzenemethanamine?
The molecular weight of 2,4-Dichloro-N-2-propyn-1-ylbenzenemethanamine is 213.01 g/mol.
Where can I buy 2,4-Dichloro-N-2-propyn-1-ylbenzenemethanamine?
You can request a quote for 2,4-Dichloro-N-2-propyn-1-ylbenzenemethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dichloro-N-2-propyn-1-ylbenzenemethanamine?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dichloro-N-2-propyn-1-ylbenzenemethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.