3-甲基-3-丁烯腈
TL;DR: 3-甲基-3-丁烯腈 (CAS 4786-19-0) 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.
3-甲基-3-丁烯腈
3-methylbut-3-enenitrile
Also Known As: Methallyl cyanide, 3-methylbut-3-enenitrile, Methallylkyanid, 3-Methyl-3-butenenitrile, 3-Methyl-3-butenonitrile
| Molecular Formula | C5H7N |
|---|---|
| Molecular Weight | 81.06 g/mol |
| LogP | 1.3 |
| 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 | 4786-19-0 |
|---|---|
| SMILES | CC(=C)CC#N |
| InChIKey | OIQDAVBXDLGCID-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-甲基-3-丁烯腈 (CAS 4786-19-0), with molecular formula C5H7N and molecular weight 81.06 g/mol. IUPAC: 3-methylbut-3-enenitrile.
Chemical Property Profile of 3-甲基-3-丁烯腈
Property Insights of 3-甲基-3-丁烯腈
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-甲基-3-丁烯腈. With a topological polar surface area (TPSA) of 23.8 Ų, 3-甲基-3-丁烯腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-甲基-3-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 3-甲基-3-丁烯腈?
The CAS number of 3-甲基-3-丁烯腈 is 4786-19-0.
What is the molecular formula of 3-甲基-3-丁烯腈?
The molecular formula of 3-甲基-3-丁烯腈 is C5H7N.
What is the molecular weight of 3-甲基-3-丁烯腈?
The molecular weight of 3-甲基-3-丁烯腈 is 81.06 g/mol.
Where can I buy 3-甲基-3-丁烯腈?
You can request a quote for 3-甲基-3-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 3-甲基-3-丁烯腈?
Yes, KEHONG BIO provides custom synthesis services for 3-甲基-3-丁烯腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.