2-Ethylacrylonitrile
TL;DR: 2-Ethylacrylonitrile (CAS 1647-11-6) is a chemical compound with molecular formula C5H7N and molecular weight 81.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylidenebutanenitrile
Also Known As: 2-Ethylacrylonitrile, Ethacrylonitrile, 2-methylenebutanenitrile, 2-methylidenebutanenitrile, 2-Methylenebutyronitrile
| Molecular Formula | C5H7N |
|---|---|
| Molecular Weight | 81.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 81.057846 |
| Heavy Atoms | 6 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 1647-11-6 |
|---|---|
| SMILES | CCC(=C)C#N |
| InChIKey | TVONJMOVBKMLOM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethylacrylonitrile (CAS 1647-11-6), with molecular formula C5H7N and molecular weight 81.06 g/mol. IUPAC: 2-methylidenebutanenitrile.
Chemical Property Profile of 2-Ethylacrylonitrile
Property Insights of 2-Ethylacrylonitrile
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethylacrylonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 2-Ethylacrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylacrylonitrile has 0 hydrogen bond donor(s) and 1 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 2-Ethylacrylonitrile?
The CAS number of 2-Ethylacrylonitrile is 1647-11-6.
What is the molecular formula of 2-Ethylacrylonitrile?
The molecular formula of 2-Ethylacrylonitrile is C5H7N.
What is the molecular weight of 2-Ethylacrylonitrile?
The molecular weight of 2-Ethylacrylonitrile is 81.06 g/mol.
Where can I buy 2-Ethylacrylonitrile?
You can request a quote for 2-Ethylacrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylacrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylacrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.