![3-[4-(Dimethylamino)phenyl]prop-2-enenitrile structure](/static/products/3244/32444-63-6.webp)
3-[4-(Dimethylamino)phenyl]prop-2-enenitrile
TL;DR: 3-[4-(Dimethylamino)phenyl]prop-2-enenitrile (CAS 32444-63-6) is a chemical compound with molecular formula C11H12N2 and molecular weight 172.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(dimethylamino)phenyl]prop-2-enenitrile
Also Known As: Maybridge2_000149, trans-4-Dimethylaminocinnamonitrile, p-(Dimethylamino)cinnamonitrile, cis-4-Dimethylaminocinnamonitrile, p-DimethylaminozimtsA currencyurenitril
| Molecular Formula | C11H12N2 |
|---|---|
| Molecular Weight | 172.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.10005 |
| Heavy Atoms | 13 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 32444-63-6 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C=CC#N |
| InChIKey | CSCOHKCYDZVRMQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-[4-(Dimethylamino)phenyl]prop-2-enenitrile (CAS 32444-63-6), with molecular formula C11H12N2 and molecular weight 172.10 g/mol. IUPAC: 3-[4-(dimethylamino)phenyl]prop-2-enenitrile.
Chemical Property Profile of 3-[4-(Dimethylamino)phenyl]prop-2-enenitrile
Property Insights of 3-[4-(Dimethylamino)phenyl]prop-2-enenitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-(Dimethylamino)phenyl]prop-2-enenitrile. With a topological polar surface area (TPSA) of 27.0 Ų, 3-[4-(Dimethylamino)phenyl]prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[4-(Dimethylamino)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
Frequently Asked Questions
What is the CAS number of 3-[4-(Dimethylamino)phenyl]prop-2-enenitrile?
The CAS number of 3-[4-(Dimethylamino)phenyl]prop-2-enenitrile is 32444-63-6.
What is the molecular formula of 3-[4-(Dimethylamino)phenyl]prop-2-enenitrile?
The molecular formula of 3-[4-(Dimethylamino)phenyl]prop-2-enenitrile is C11H12N2.
What is the molecular weight of 3-[4-(Dimethylamino)phenyl]prop-2-enenitrile?
The molecular weight of 3-[4-(Dimethylamino)phenyl]prop-2-enenitrile is 172.10 g/mol.
Where can I buy 3-[4-(Dimethylamino)phenyl]prop-2-enenitrile?
You can request a quote for 3-[4-(Dimethylamino)phenyl]prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(Dimethylamino)phenyl]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(Dimethylamino)phenyl]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.