3-(Butylphenylamino)propanenitrile
TL;DR: 3-(Butylphenylamino)propanenitrile (CAS 61852-40-2) 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.
3-(N-butylanilino)propanenitrile
Also Known As: 3-(Butyl(phenyl)amino)propanenitrile, 3-(Butylphenylamino)propiononitrile, Propanenitrile, 3-(butylphenylamino)-, 3-(N-butylanilino)propanenitrile, 3- propiononitrile
| Molecular Formula | C13H18N2 |
|---|---|
| Molecular Weight | 202.15 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 202.147 |
| Heavy Atoms | 15 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 61852-40-2 |
|---|---|
| SMILES | CCCCN(CCC#N)C1=CC=CC=C1 |
| InChIKey | KMGZOJSHGRNXOC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Butylphenylamino)propanenitrile (CAS 61852-40-2), with molecular formula C13H18N2 and molecular weight 202.15 g/mol. IUPAC: 3-(N-butylanilino)propanenitrile.
Chemical Property Profile of 3-(Butylphenylamino)propanenitrile
Property Insights of 3-(Butylphenylamino)propanenitrile
The XLogP value of 3.0 indicates that 3-(Butylphenylamino)propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.0 Ų, 3-(Butylphenylamino)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Butylphenylamino)propanenitrile has 0 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 3-(Butylphenylamino)propanenitrile?
The CAS number of 3-(Butylphenylamino)propanenitrile is 61852-40-2.
What is the molecular formula of 3-(Butylphenylamino)propanenitrile?
The molecular formula of 3-(Butylphenylamino)propanenitrile is C13H18N2.
What is the molecular weight of 3-(Butylphenylamino)propanenitrile?
The molecular weight of 3-(Butylphenylamino)propanenitrile is 202.15 g/mol.
Where can I buy 3-(Butylphenylamino)propanenitrile?
You can request a quote for 3-(Butylphenylamino)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Butylphenylamino)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Butylphenylamino)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.