1-Naphthaleneacetonitrile, alpha-(2-(dimethylamino)ethyl)-
TL;DR: 1-Naphthaleneacetonitrile, alpha-(2-(dimethylamino)ethyl)- (CAS 2809-54-3) 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-1-ylbutanenitrile
Also Known As: alpha-(2-(Dimethylamino)ethyl)-1-naphthaleneacetonitrile, 1-NAPHTHALENEACETONITRILE,alpha-(2- -, 4-(dimethylamino)-2-naphthalen-1-ylbutanenitrile, 4-14-00-01824 (Beilstein Handbook Reference), 4-Dimethylamino-2-(naphth-1-yl)butyronitrile
| 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 | 2809-54-3 |
|---|---|
| SMILES | CN(C)CCC(C#N)C1=CC=CC2=CC=CC=C21 |
| InChIKey | XWDJWSFNFKEVBR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Naphthaleneacetonitrile, alpha-(2-(dimethylamino)ethyl)- (CAS 2809-54-3), with molecular formula C16H18N2 and molecular weight 238.15 g/mol. IUPAC: 4-(dimethylamino)-2-naphthalen-1-ylbutanenitrile.
Chemical Property Profile of 1-Naphthaleneacetonitrile, alpha-(2-(dimethylamino)ethyl)-
Property Insights of 1-Naphthaleneacetonitrile, alpha-(2-(dimethylamino)ethyl)-
The XLogP value of 3.3 indicates that 1-Naphthaleneacetonitrile, alpha-(2-(dimethylamino)ethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.0 Ų, 1-Naphthaleneacetonitrile, alpha-(2-(dimethylamino)ethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Naphthaleneacetonitrile, alpha-(2-(dimethylamino)ethyl)- 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 1-Naphthaleneacetonitrile, alpha-(2-(dimethylamino)ethyl)-?
The CAS number of 1-Naphthaleneacetonitrile, alpha-(2-(dimethylamino)ethyl)- is 2809-54-3.
What is the molecular formula of 1-Naphthaleneacetonitrile, alpha-(2-(dimethylamino)ethyl)-?
The molecular formula of 1-Naphthaleneacetonitrile, alpha-(2-(dimethylamino)ethyl)- is C16H18N2.
What is the molecular weight of 1-Naphthaleneacetonitrile, alpha-(2-(dimethylamino)ethyl)-?
The molecular weight of 1-Naphthaleneacetonitrile, alpha-(2-(dimethylamino)ethyl)- is 238.15 g/mol.
Where can I buy 1-Naphthaleneacetonitrile, alpha-(2-(dimethylamino)ethyl)-?
You can request a quote for 1-Naphthaleneacetonitrile, alpha-(2-(dimethylamino)ethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Naphthaleneacetonitrile, alpha-(2-(dimethylamino)ethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Naphthaleneacetonitrile, alpha-(2-(dimethylamino)ethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.