2-Butylacrylonitrile
TL;DR: 2-Butylacrylonitrile (CAS 4388-91-4) is a chemical compound with molecular formula C7H11N and molecular weight 109.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylidenehexanenitrile
Also Known As: 2-Butylacrylonitrile, butyl acrylonitrile, 2-methylidenehexanenitrile, 2-Cyano-1-hexene, 2-butyl-acrylonitrile
| Molecular Formula | C7H11N |
|---|---|
| Molecular Weight | 109.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 109.08915 |
| Heavy Atoms | 8 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 4388-91-4 |
|---|---|
| SMILES | CCCCC(=C)C#N |
| InChIKey | ZEGCGUNSDMAYRF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butylacrylonitrile (CAS 4388-91-4), with molecular formula C7H11N and molecular weight 109.09 g/mol. IUPAC: 2-methylidenehexanenitrile.
Chemical Property Profile of 2-Butylacrylonitrile
Property Insights of 2-Butylacrylonitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butylacrylonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 2-Butylacrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butylacrylonitrile 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-Butylacrylonitrile?
The CAS number of 2-Butylacrylonitrile is 4388-91-4.
What is the molecular formula of 2-Butylacrylonitrile?
The molecular formula of 2-Butylacrylonitrile is C7H11N.
What is the molecular weight of 2-Butylacrylonitrile?
The molecular weight of 2-Butylacrylonitrile is 109.09 g/mol.
Where can I buy 2-Butylacrylonitrile?
You can request a quote for 2-Butylacrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butylacrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Butylacrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.