![2-[(3-Chlorobenzyl)amino]acetonitrile structure](/static/products/6308/63086-18-0.webp)
2-[(3-Chlorobenzyl)amino]acetonitrile
TL;DR: 2-[(3-Chlorobenzyl)amino]acetonitrile (CAS 63086-18-0) is a chemical compound with molecular formula C9H9ClN2 and molecular weight 180.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-chlorophenyl)methylamino]acetonitrile
Also Known As: 2-[(3-chlorobenzyl)amino]acetonitrile, 2-[(3-chlorophenyl)methylamino]acetonitrile, 2-{[(3-chlorophenyl)methyl]amino}acetonitrile, 2-{(3-chlorophenyl)methylamino}acetonitrile, {[(3-Chlorophenyl)methyl]amino}acetonitrile
| Molecular Formula | C9H9ClN2 |
|---|---|
| Molecular Weight | 180.05 g/mol |
| LogP | 1.95318 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.04543 |
| Heavy Atoms | 12 |
| Complexity | 290.82516 |
Chemical Identifiers
| CAS Number | 63086-18-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)CNCC#N |
Product Overview
2-[(3-Chlorobenzyl)amino]acetonitrile (CAS 63086-18-0), with molecular formula C9H9ClN2 and molecular weight 180.05 g/mol. IUPAC: 2-[(3-chlorophenyl)methylamino]acetonitrile.
Chemical Property Profile of 2-[(3-Chlorobenzyl)amino]acetonitrile
Property Insights of 2-[(3-Chlorobenzyl)amino]acetonitrile
The XLogP value of 1.95318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-Chlorobenzyl)amino]acetonitrile. With a topological polar surface area (TPSA) of 35.82 Ų, 2-[(3-Chlorobenzyl)amino]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3-Chlorobenzyl)amino]acetonitrile 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 2-[(3-Chlorobenzyl)amino]acetonitrile?
The CAS number of 2-[(3-Chlorobenzyl)amino]acetonitrile is 63086-18-0.
What is the molecular formula of 2-[(3-Chlorobenzyl)amino]acetonitrile?
The molecular formula of 2-[(3-Chlorobenzyl)amino]acetonitrile is C9H9ClN2.
What is the molecular weight of 2-[(3-Chlorobenzyl)amino]acetonitrile?
The molecular weight of 2-[(3-Chlorobenzyl)amino]acetonitrile is 180.05 g/mol.
Where can I buy 2-[(3-Chlorobenzyl)amino]acetonitrile?
You can request a quote for 2-[(3-Chlorobenzyl)amino]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-Chlorobenzyl)amino]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Chlorobenzyl)amino]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.