4-(Hexylamino)benzonitrile
TL;DR: 4-(Hexylamino)benzonitrile (CAS 226917-75-5) is a chemical compound with molecular formula C13H18N2 and molecular weight 202.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(hexylamino)benzonitrile
Also Known As: 4-(hexylamino)benzonitrile, N-Hexyl-4-cyanoaniline, N-n-hexyl-4-cyanoaniline, 4-(hexylamino)-benzonitrile, 4-(N-Hexyl)aminobenzonitrile
| Molecular Formula | C13H18N2 |
|---|---|
| Molecular Weight | 202.15 g/mol |
| LogP | 3.55048 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 202.147 |
| Heavy Atoms | 15 |
| Complexity | 308.30298 |
Chemical Identifiers
| CAS Number | 226917-75-5 |
|---|---|
| SMILES | CCCCCCNC1=CC=C(C=C1)C#N |
Product Overview
4-(Hexylamino)benzonitrile (CAS 226917-75-5), with molecular formula C13H18N2 and molecular weight 202.15 g/mol. IUPAC: 4-(hexylamino)benzonitrile.
Chemical Property Profile of 4-(Hexylamino)benzonitrile
Property Insights of 4-(Hexylamino)benzonitrile
The XLogP value of 3.55048 indicates that 4-(Hexylamino)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.82 Ų, 4-(Hexylamino)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Hexylamino)benzonitrile 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-(Hexylamino)benzonitrile?
The CAS number of 4-(Hexylamino)benzonitrile is 226917-75-5.
What is the molecular formula of 4-(Hexylamino)benzonitrile?
The molecular formula of 4-(Hexylamino)benzonitrile is C13H18N2.
What is the molecular weight of 4-(Hexylamino)benzonitrile?
The molecular weight of 4-(Hexylamino)benzonitrile is 202.15 g/mol.
Where can I buy 4-(Hexylamino)benzonitrile?
You can request a quote for 4-(Hexylamino)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Hexylamino)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Hexylamino)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.