4-(Dimethylamino)-2-(naphthalen-2-yl)butanenitrile
TL;DR: 4-(Dimethylamino)-2-(naphthalen-2-yl)butanenitrile (CAS 3582-41-0) is a chemical compound with molecular formula C16H18N2 and molecular weight 238.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dimethylamino)-2-naphthalen-2-ylbutanenitrile
Also Known As: alpha-(2-Dimethylaminoethyl)-2-naphthylacetonitrile, 4-(dimethylamino)-2-naphthalen-2-ylbutanenitrile, Butyronitrile, 4-dimethylamino-2-(2-naphthyl)-, 4-(Dimethylamino)-2-(naphthalen-2-yl)butanenitrile, 2-NAPHTHALENEACETONITRILE, alpha-(2-(DIMETHYLAMINO)ETHYL)-
| Molecular Formula | C16H18N2 |
|---|---|
| Molecular Weight | 238.15 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.147 |
| Heavy Atoms | 18 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 3582-41-0 |
|---|---|
| SMILES | CN(C)CCC(C#N)C1=CC2=CC=CC=C2C=C1 |
| InChIKey | QEDVOUKKGFBBBD-UHFFFAOYSA-N |
Product Overview
4-(Dimethylamino)-2-(naphthalen-2-yl)butanenitrile (CAS 3582-41-0), with molecular formula C16H18N2 and molecular weight 238.15 g/mol. IUPAC: 4-(dimethylamino)-2-naphthalen-2-ylbutanenitrile.
Chemical Property Profile of 4-(Dimethylamino)-2-(naphthalen-2-yl)butanenitrile
Property Insights of 4-(Dimethylamino)-2-(naphthalen-2-yl)butanenitrile
The XLogP value of 3.3 indicates that 4-(Dimethylamino)-2-(naphthalen-2-yl)butanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.0 Ų, 4-(Dimethylamino)-2-(naphthalen-2-yl)butanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Dimethylamino)-2-(naphthalen-2-yl)butanenitrile 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 4-(Dimethylamino)-2-(naphthalen-2-yl)butanenitrile?
The CAS number of 4-(Dimethylamino)-2-(naphthalen-2-yl)butanenitrile is 3582-41-0.
What is the molecular formula of 4-(Dimethylamino)-2-(naphthalen-2-yl)butanenitrile?
The molecular formula of 4-(Dimethylamino)-2-(naphthalen-2-yl)butanenitrile is C16H18N2.
What is the molecular weight of 4-(Dimethylamino)-2-(naphthalen-2-yl)butanenitrile?
The molecular weight of 4-(Dimethylamino)-2-(naphthalen-2-yl)butanenitrile is 238.15 g/mol.
Where can I buy 4-(Dimethylamino)-2-(naphthalen-2-yl)butanenitrile?
You can request a quote for 4-(Dimethylamino)-2-(naphthalen-2-yl)butanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Dimethylamino)-2-(naphthalen-2-yl)butanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Dimethylamino)-2-(naphthalen-2-yl)butanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.