3-(Dimethylamino)prop-2-enenitrile
TL;DR: 3-(Dimethylamino)prop-2-enenitrile (CAS 2407-68-3) is a chemical compound with molecular formula C5H8N2 and molecular weight 96.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)prop-2-enenitrile
Also Known As: 3-(Dimethylamino)acrylonitrile, 3-Dimethylaminoacrylonitrile, 3-(dimethylamino)prop-2-enenitrile, 3-dirnethylaminoacrylonitrile, trans-3-(Dimethylamino)acrylonitrile
| Molecular Formula | C5H8N2 |
|---|---|
| Molecular Weight | 96.07 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 96.06875 |
| Heavy Atoms | 7 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 2407-68-3 |
|---|---|
| SMILES | CN(C)C=CC#N |
| InChIKey | ZKKBIZXAEDFPNL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Dimethylamino)prop-2-enenitrile (CAS 2407-68-3), with molecular formula C5H8N2 and molecular weight 96.07 g/mol. IUPAC: 3-(dimethylamino)prop-2-enenitrile.
Chemical Property Profile of 3-(Dimethylamino)prop-2-enenitrile
Property Insights of 3-(Dimethylamino)prop-2-enenitrile
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethylamino)prop-2-enenitrile. With a topological polar surface area (TPSA) of 27.0 Ų, 3-(Dimethylamino)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylamino)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-(Dimethylamino)prop-2-enenitrile?
The CAS number of 3-(Dimethylamino)prop-2-enenitrile is 2407-68-3.
What is the molecular formula of 3-(Dimethylamino)prop-2-enenitrile?
The molecular formula of 3-(Dimethylamino)prop-2-enenitrile is C5H8N2.
What is the molecular weight of 3-(Dimethylamino)prop-2-enenitrile?
The molecular weight of 3-(Dimethylamino)prop-2-enenitrile is 96.07 g/mol.
Where can I buy 3-(Dimethylamino)prop-2-enenitrile?
You can request a quote for 3-(Dimethylamino)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-(Dimethylamino)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylamino)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.