N-(4-chlorobenzyl)prop-2-en-1-amine
TL;DR: N-(4-chlorobenzyl)prop-2-en-1-amine (CAS 69957-80-8) 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.
N-[(4-chlorophenyl)methyl]prop-2-en-1-amine
Also Known As: N-(4-chlorobenzyl)prop-2-en-1-amine, N-(4-CHLOROBENZYL)-2-PROPEN-1-AMINE, Allyl(4-chlorobenzyl)amine, [(4-chlorophenyl)methyl](prop-2-en-1-yl)amine, N-[(4-chlorophenyl)methyl]prop-2-en-1-amine
| Molecular Formula | C10H12ClN |
|---|---|
| Molecular Weight | 181.07 g/mol |
| LogP | 2.6156 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 181.06583 |
| Heavy Atoms | 12 |
| Complexity | 240.52042 |
Chemical Identifiers
| CAS Number | 69957-80-8 |
|---|---|
| SMILES | C=CCNCC1=CC=C(C=C1)Cl |
Product Overview
N-(4-chlorobenzyl)prop-2-en-1-amine (CAS 69957-80-8), with molecular formula C10H12ClN and molecular weight 181.07 g/mol. IUPAC: N-[(4-chlorophenyl)methyl]prop-2-en-1-amine.
Chemical Property Profile of N-(4-chlorobenzyl)prop-2-en-1-amine
Property Insights of N-(4-chlorobenzyl)prop-2-en-1-amine
The XLogP value of 2.6156 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-chlorobenzyl)prop-2-en-1-amine. With a topological polar surface area (TPSA) of 12.03 Ų, N-(4-chlorobenzyl)prop-2-en-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-chlorobenzyl)prop-2-en-1-amine 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 N-(4-chlorobenzyl)prop-2-en-1-amine?
The CAS number of N-(4-chlorobenzyl)prop-2-en-1-amine is 69957-80-8.
What is the molecular formula of N-(4-chlorobenzyl)prop-2-en-1-amine?
The molecular formula of N-(4-chlorobenzyl)prop-2-en-1-amine is C10H12ClN.
What is the molecular weight of N-(4-chlorobenzyl)prop-2-en-1-amine?
The molecular weight of N-(4-chlorobenzyl)prop-2-en-1-amine is 181.07 g/mol.
Where can I buy N-(4-chlorobenzyl)prop-2-en-1-amine?
You can request a quote for N-(4-chlorobenzyl)prop-2-en-1-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-chlorobenzyl)prop-2-en-1-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chlorobenzyl)prop-2-en-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.