2-(Diethylamino)butanenitrile
TL;DR: 2-(Diethylamino)butanenitrile (CAS 16250-35-4) is a chemical compound with molecular formula C8H16N2 and molecular weight 140.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)butanenitrile
Also Known As: 2-(Diethylamino)butanenitrile, 2-(Diethylamino)butyronitrile, 2-diethylaminobutanenitrile, 2-(Diethylamino)butanenitrile #, TZEWMPTWEWTXOY-UHFFFAOYSA-
| Molecular Formula | C8H16N2 |
|---|---|
| Molecular Weight | 140.13 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 140.13135 |
| Heavy Atoms | 10 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 16250-35-4 |
|---|---|
| SMILES | CCC(C#N)N(CC)CC |
| InChIKey | TZEWMPTWEWTXOY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Diethylamino)butanenitrile (CAS 16250-35-4), with molecular formula C8H16N2 and molecular weight 140.13 g/mol. IUPAC: 2-(diethylamino)butanenitrile.
Chemical Property Profile of 2-(Diethylamino)butanenitrile
Property Insights of 2-(Diethylamino)butanenitrile
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Diethylamino)butanenitrile. With a topological polar surface area (TPSA) of 27.0 Ų, 2-(Diethylamino)butanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Diethylamino)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 2-(Diethylamino)butanenitrile?
The CAS number of 2-(Diethylamino)butanenitrile is 16250-35-4.
What is the molecular formula of 2-(Diethylamino)butanenitrile?
The molecular formula of 2-(Diethylamino)butanenitrile is C8H16N2.
What is the molecular weight of 2-(Diethylamino)butanenitrile?
The molecular weight of 2-(Diethylamino)butanenitrile is 140.13 g/mol.
Where can I buy 2-(Diethylamino)butanenitrile?
You can request a quote for 2-(Diethylamino)butanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Diethylamino)butanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Diethylamino)butanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.