![3-[4-(Diethylamino)phenyl]prop-2-enenitrile structure](/static/products/1195/119516-33-5.webp)
3-[4-(Diethylamino)phenyl]prop-2-enenitrile
TL;DR: 3-[4-(Diethylamino)phenyl]prop-2-enenitrile (CAS 119516-33-5) is a chemical compound with molecular formula C13H16N2 and molecular weight 200.13135 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[4-(diethylamino)phenyl]prop-2-enenitrile
Also Known As: TimTec1_004056, 3-[4-(diethylamino)phenyl]prop-2-enenitrile, trans-4-(Diethylamino)cinnamonitrile, 2-Propenenitrile,3-[4-(diethylamino)phenyl]-, (2E)-
Technical Specifications
| Molecular Formula | C13H16N2 |
| Molecular Weight | 200.13135 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 200.13135 Da |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
| SMILES | CCN(CC)C1=CC=C(C=C1)C=CC#N |
| InChIKey | NPWFCIFHEOTMMN-UHFFFAOYSA-N |
Chemical Property Profile of 3-[4-(Diethylamino)phenyl]prop-2-enenitrile
Property Insights of 3-[4-(Diethylamino)phenyl]prop-2-enenitrile
The XLogP value of 3.3 indicates that 3-[4-(Diethylamino)phenyl]prop-2-enenitrile 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-[4-(Diethylamino)phenyl]prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[4-(Diethylamino)phenyl]prop-2-enenitrile 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
What is the CAS number of 3-[4-(Diethylamino)phenyl]prop-2-enenitrile?
The CAS number of 3-[4-(Diethylamino)phenyl]prop-2-enenitrile is 119516-33-5.
What is the molecular formula of 3-[4-(Diethylamino)phenyl]prop-2-enenitrile?
The molecular formula of 3-[4-(Diethylamino)phenyl]prop-2-enenitrile is C13H16N2.
What is the molecular weight of 3-[4-(Diethylamino)phenyl]prop-2-enenitrile?
The molecular weight of 3-[4-(Diethylamino)phenyl]prop-2-enenitrile is 200.13135 g/mol.
Where can I buy 3-[4-(Diethylamino)phenyl]prop-2-enenitrile?
You can request a quote for 3-[4-(Diethylamino)phenyl]prop-2-enenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[4-(Diethylamino)phenyl]prop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for 3-[4-(Diethylamino)phenyl]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.