N-(2-Cyanoethyl)diethylamine
TL;DR: N-(2-Cyanoethyl)diethylamine (CAS 5351-04-2) is a chemical compound with molecular formula C7H14N2 and molecular weight 126.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(diethylamino)propanenitrile
Also Known As: 3-(Diethylamino)propanenitrile, N-(2-Cyanoethyl)diethylamine, 3-(Diethylamino)propionitrile, Propanenitrile, 3-(diethylamino)-, 3-Diethylaminopropiononitrile
| Molecular Formula | C7H14N2 |
|---|---|
| Molecular Weight | 126.12 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 126.1157 |
| Heavy Atoms | 9 |
| Complexity | 96.0 |
Chemical Identifiers
| CAS Number | 5351-04-2 |
|---|---|
| SMILES | CCN(CC)CCC#N |
| InChIKey | LFFKXGFSDGRFQA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-Cyanoethyl)diethylamine (CAS 5351-04-2), with molecular formula C7H14N2 and molecular weight 126.12 g/mol. IUPAC: 3-(diethylamino)propanenitrile.
Chemical Property Profile of N-(2-Cyanoethyl)diethylamine
Property Insights of N-(2-Cyanoethyl)diethylamine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Cyanoethyl)diethylamine. With a topological polar surface area (TPSA) of 27.0 Ų, N-(2-Cyanoethyl)diethylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-Cyanoethyl)diethylamine 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 N-(2-Cyanoethyl)diethylamine?
The CAS number of N-(2-Cyanoethyl)diethylamine is 5351-04-2.
What is the molecular formula of N-(2-Cyanoethyl)diethylamine?
The molecular formula of N-(2-Cyanoethyl)diethylamine is C7H14N2.
What is the molecular weight of N-(2-Cyanoethyl)diethylamine?
The molecular weight of N-(2-Cyanoethyl)diethylamine is 126.12 g/mol.
Where can I buy N-(2-Cyanoethyl)diethylamine?
You can request a quote for N-(2-Cyanoethyl)diethylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Cyanoethyl)diethylamine?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Cyanoethyl)diethylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.