4-(N,N-dibenzylamino)butyronitrile
TL;DR: 4-(N,N-dibenzylamino)butyronitrile (CAS 55096-93-0) is a chemical compound with molecular formula C18H20N2 and molecular weight 264.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dibenzylamino)butanenitrile
Also Known As: Maybridge2_000143, 4-dibenzylamino-butyronitrile, 4-(dibenzylamino)butanenitrile, 4-(N,N-dibenzylamino)butyronitrile, IDI1_001183
| Molecular Formula | C18H20N2 |
|---|---|
| Molecular Weight | 264.16 g/mol |
| LogP | 3.99258 |
| Topological Polar Surface Area | 27.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 264.16266 |
| Heavy Atoms | 20 |
| Complexity | 486.8496 |
Chemical Identifiers
| CAS Number | 55096-93-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN(CCCC#N)CC2=CC=CC=C2 |
Product Overview
4-(N,N-dibenzylamino)butyronitrile (CAS 55096-93-0), with molecular formula C18H20N2 and molecular weight 264.16 g/mol. IUPAC: 4-(dibenzylamino)butanenitrile.
Chemical Property Profile of 4-(N,N-dibenzylamino)butyronitrile
Property Insights of 4-(N,N-dibenzylamino)butyronitrile
The XLogP value of 3.99258 indicates that 4-(N,N-dibenzylamino)butyronitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.03 Ų, 4-(N,N-dibenzylamino)butyronitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(N,N-dibenzylamino)butyronitrile 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-(N,N-dibenzylamino)butyronitrile?
The CAS number of 4-(N,N-dibenzylamino)butyronitrile is 55096-93-0.
What is the molecular formula of 4-(N,N-dibenzylamino)butyronitrile?
The molecular formula of 4-(N,N-dibenzylamino)butyronitrile is C18H20N2.
What is the molecular weight of 4-(N,N-dibenzylamino)butyronitrile?
The molecular weight of 4-(N,N-dibenzylamino)butyronitrile is 264.16 g/mol.
Where can I buy 4-(N,N-dibenzylamino)butyronitrile?
You can request a quote for 4-(N,N-dibenzylamino)butyronitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(N,N-dibenzylamino)butyronitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(N,N-dibenzylamino)butyronitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.