4-(Aminomethyl)-3-chlorobenzonitrile
TL;DR: 4-(Aminomethyl)-3-chlorobenzonitrile (CAS 182292-05-3) is a chemical compound with molecular formula C8H7ClN2 and molecular weight 166.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(aminomethyl)-3-chlorobenzonitrile
Also Known As: 4-(aminomethyl)-3-chlorobenzonitrile, 2-CHLORO-4-CYANOBENZYLAMINE, 2-Chloro-4-cyano-benzylamine, 4-aminomethyl-3-chlorobenzonitrile, 4-(aminomethyl)-3-chloro-benzonitrile
| Molecular Formula | C8H7ClN2 |
|---|---|
| Molecular Weight | 166.03 g/mol |
| LogP | 1.67038 |
| Topological Polar Surface Area | 49.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.02977 |
| Heavy Atoms | 11 |
| Complexity | 301.45062 |
Chemical Identifiers
| CAS Number | 182292-05-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1C#N)Cl)CN |
Product Overview
4-(Aminomethyl)-3-chlorobenzonitrile (CAS 182292-05-3), with molecular formula C8H7ClN2 and molecular weight 166.03 g/mol. IUPAC: 4-(aminomethyl)-3-chlorobenzonitrile.
Chemical Property Profile of 4-(Aminomethyl)-3-chlorobenzonitrile
Property Insights of 4-(Aminomethyl)-3-chlorobenzonitrile
The XLogP value of 1.67038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Aminomethyl)-3-chlorobenzonitrile. With a topological polar surface area (TPSA) of 49.81 Ų, 4-(Aminomethyl)-3-chlorobenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Aminomethyl)-3-chlorobenzonitrile has 1 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 4-(Aminomethyl)-3-chlorobenzonitrile?
The CAS number of 4-(Aminomethyl)-3-chlorobenzonitrile is 182292-05-3.
What is the molecular formula of 4-(Aminomethyl)-3-chlorobenzonitrile?
The molecular formula of 4-(Aminomethyl)-3-chlorobenzonitrile is C8H7ClN2.
What is the molecular weight of 4-(Aminomethyl)-3-chlorobenzonitrile?
The molecular weight of 4-(Aminomethyl)-3-chlorobenzonitrile is 166.03 g/mol.
Where can I buy 4-(Aminomethyl)-3-chlorobenzonitrile?
You can request a quote for 4-(Aminomethyl)-3-chlorobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Aminomethyl)-3-chlorobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Aminomethyl)-3-chlorobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.