N-(2-chlorobenzyl)propane-1,3-diamine
TL;DR: N-(2-chlorobenzyl)propane-1,3-diamine (CAS 161799-66-2) is a chemical compound with molecular formula C10H15ClN2 and molecular weight 198.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-[(2-chlorophenyl)methyl]propane-1,3-diamine
Also Known As: N-(2-chlorobenzyl)propane-1,3-diamine, N'-[(2-chlorophenyl)methyl]propane-1,3-diamine, 1,3-Propanediamine, N-[(2-chlorophenyl)methyl]-, 1,3-Propanediamine, N1-[(2-chlorophenyl)methyl]-, N-[(2-chlorophenyl)methyl]propane-1,3-diamine
| Molecular Formula | C10H15ClN2 |
|---|---|
| Molecular Weight | 198.09 g/mol |
| LogP | 1.7784 |
| Topological Polar Surface Area | 38.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 198.09238 |
| Heavy Atoms | 13 |
| Complexity | 250.435 |
Chemical Identifiers
| CAS Number | 161799-66-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CNCCCN)Cl |
Product Overview
N-(2-chlorobenzyl)propane-1,3-diamine (CAS 161799-66-2), with molecular formula C10H15ClN2 and molecular weight 198.09 g/mol. IUPAC: N'-[(2-chlorophenyl)methyl]propane-1,3-diamine.
Chemical Property Profile of N-(2-chlorobenzyl)propane-1,3-diamine
Property Insights of N-(2-chlorobenzyl)propane-1,3-diamine
The XLogP value of 1.7784 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-chlorobenzyl)propane-1,3-diamine. With a topological polar surface area (TPSA) of 38.05 Ų, N-(2-chlorobenzyl)propane-1,3-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-chlorobenzyl)propane-1,3-diamine 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 N-(2-chlorobenzyl)propane-1,3-diamine?
The CAS number of N-(2-chlorobenzyl)propane-1,3-diamine is 161799-66-2.
What is the molecular formula of N-(2-chlorobenzyl)propane-1,3-diamine?
The molecular formula of N-(2-chlorobenzyl)propane-1,3-diamine is C10H15ClN2.
What is the molecular weight of N-(2-chlorobenzyl)propane-1,3-diamine?
The molecular weight of N-(2-chlorobenzyl)propane-1,3-diamine is 198.09 g/mol.
Where can I buy N-(2-chlorobenzyl)propane-1,3-diamine?
You can request a quote for N-(2-chlorobenzyl)propane-1,3-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-chlorobenzyl)propane-1,3-diamine?
Yes, KEHONG BIO provides custom synthesis services for N-(2-chlorobenzyl)propane-1,3-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.