4-(Diethylamino)-2-phenylbutyronitrile
TL;DR: 4-(Diethylamino)-2-phenylbutyronitrile (CAS 3699-29-4) is a chemical compound with molecular formula C14H20N2 and molecular weight 216.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(diethylamino)-2-phenylbutanenitrile
Also Known As: 4-(diethylamino)-2-phenylbutanenitrile, 4- -2-phenylbutyronitrile, 4-(Diethylamino)-2-phenylbutyronitrile, 4-diethylamino-2-phenyl-butanenitrile, 4,4'-Dihydroxy-3,3'-dimethoxy-benzoin
| Molecular Formula | C14H20N2 |
|---|---|
| Molecular Weight | 216.16 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 216.16264 |
| Heavy Atoms | 16 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 3699-29-4 |
|---|---|
| SMILES | CCN(CC)CCC(C#N)C1=CC=CC=C1 |
| InChIKey | VZLDFHGDPJUSLD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Diethylamino)-2-phenylbutyronitrile (CAS 3699-29-4), with molecular formula C14H20N2 and molecular weight 216.16 g/mol. IUPAC: 4-(diethylamino)-2-phenylbutanenitrile.
Chemical Property Profile of 4-(Diethylamino)-2-phenylbutyronitrile
Property Insights of 4-(Diethylamino)-2-phenylbutyronitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Diethylamino)-2-phenylbutyronitrile. With a topological polar surface area (TPSA) of 27.0 Ų, 4-(Diethylamino)-2-phenylbutyronitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Diethylamino)-2-phenylbutyronitrile 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-(Diethylamino)-2-phenylbutyronitrile?
The CAS number of 4-(Diethylamino)-2-phenylbutyronitrile is 3699-29-4.
What is the molecular formula of 4-(Diethylamino)-2-phenylbutyronitrile?
The molecular formula of 4-(Diethylamino)-2-phenylbutyronitrile is C14H20N2.
What is the molecular weight of 4-(Diethylamino)-2-phenylbutyronitrile?
The molecular weight of 4-(Diethylamino)-2-phenylbutyronitrile is 216.16 g/mol.
Where can I buy 4-(Diethylamino)-2-phenylbutyronitrile?
You can request a quote for 4-(Diethylamino)-2-phenylbutyronitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Diethylamino)-2-phenylbutyronitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Diethylamino)-2-phenylbutyronitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.