2-丁烯腈
TL;DR: 2-丁烯腈 (CAS 4786-20-3) is a chemical compound with molecular formula C4H5N and molecular weight 67.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-丁烯腈
but-2-enenitrile
Also Known As: 2-Butenenitrile, but-2-enenitrile, Crotonnitrile, CROTONONITRILE, Butenenitrile
| Molecular Formula | C4H5N |
|---|---|
| Molecular Weight | 67.04 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 67.0422 |
| Heavy Atoms | 5 |
| Complexity | 72.0 |
| Flash Point | 16 °C |
| Vapor Pressure | 32.0 [mmHg] |
Chemical Identifiers
| CAS Number | 4786-20-3 |
|---|---|
| SMILES | CC=CC#N |
| InChIKey | NKKMVIVFRUYPLQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-丁烯腈 (CAS 4786-20-3), with molecular formula C4H5N and molecular weight 67.04 g/mol. IUPAC: but-2-enenitrile.
Chemical Property Profile of 2-丁烯腈
Property Insights of 2-丁烯腈
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-丁烯腈. With a topological polar surface area (TPSA) of 23.8 Ų, 2-丁烯腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-丁烯腈 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-丁烯腈?
The CAS number of 2-丁烯腈 is 4786-20-3.
What is the molecular formula of 2-丁烯腈?
The molecular formula of 2-丁烯腈 is C4H5N.
What is the molecular weight of 2-丁烯腈?
The molecular weight of 2-丁烯腈 is 67.04 g/mol.
Where can I buy 2-丁烯腈?
You can request a quote for 2-丁烯腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-丁烯腈?
Yes, KEHONG BIO provides custom synthesis services for 2-丁烯腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.