p-Chlorobenzylidene-propyl-amine
TL;DR: p-Chlorobenzylidene-propyl-amine (CAS 54979-12-3) is a chemical compound with molecular formula C10H12ClN and molecular weight 181.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-N-propylmethanimine
Also Known As: p-chlorobenzylidene-propyl-amine, N-(4-Chlorobenzylidene)propan-1-amine, 1-(4-chlorophenyl)-N-propylmethanimine, [(4-chlorophenyl)methylidene](propyl)amine
| Molecular Formula | C10H12ClN |
|---|---|
| Molecular Weight | 181.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 181.06583 |
| Heavy Atoms | 12 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 54979-12-3 |
|---|---|
| SMILES | CCCN=CC1=CC=C(C=C1)Cl |
| InChIKey | VFYCRQDRGSTOGM-UHFFFAOYSA-N |
Product Overview
p-Chlorobenzylidene-propyl-amine (CAS 54979-12-3), with molecular formula C10H12ClN and molecular weight 181.07 g/mol. IUPAC: 1-(4-chlorophenyl)-N-propylmethanimine.
Chemical Property Profile of p-Chlorobenzylidene-propyl-amine
Property Insights of p-Chlorobenzylidene-propyl-amine
The XLogP value of 3.4 indicates that p-Chlorobenzylidene-propyl-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.4 Ų, p-Chlorobenzylidene-propyl-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Chlorobenzylidene-propyl-amine has 0 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 p-Chlorobenzylidene-propyl-amine?
The CAS number of p-Chlorobenzylidene-propyl-amine is 54979-12-3.
What is the molecular formula of p-Chlorobenzylidene-propyl-amine?
The molecular formula of p-Chlorobenzylidene-propyl-amine is C10H12ClN.
What is the molecular weight of p-Chlorobenzylidene-propyl-amine?
The molecular weight of p-Chlorobenzylidene-propyl-amine is 181.07 g/mol.
Where can I buy p-Chlorobenzylidene-propyl-amine?
You can request a quote for p-Chlorobenzylidene-propyl-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Chlorobenzylidene-propyl-amine?
Yes, KEHONG BIO provides custom synthesis services for p-Chlorobenzylidene-propyl-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.