Cyclopropylacetonitrile
TL;DR: Cyclopropylacetonitrile (CAS 14611-44-0) 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.
2-cyclopropylacetonitrile
Also Known As: cyclopropylacetonitrile, 2-cyclopropylacetonitrile, cyclopropaneacetonitrile, cyclopropyl acetonitrile, 2-cyclopropylethanenitrile
| Molecular Formula | C5H7N |
|---|---|
| Molecular Weight | 81.06 g/mol |
| LogP | 1.0 |
| 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 | 83.0 |
Chemical Identifiers
| CAS Number | 14611-44-0 |
|---|---|
| SMILES | C1CC1CC#N |
| InChIKey | FAUQRRGKJKMEIW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclopropylacetonitrile (CAS 14611-44-0), with molecular formula C5H7N and molecular weight 81.06 g/mol. IUPAC: 2-cyclopropylacetonitrile.
Chemical Property Profile of Cyclopropylacetonitrile
Property Insights of Cyclopropylacetonitrile
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclopropylacetonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, Cyclopropylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopropylacetonitrile 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 Cyclopropylacetonitrile?
The CAS number of Cyclopropylacetonitrile is 14611-44-0.
What is the molecular formula of Cyclopropylacetonitrile?
The molecular formula of Cyclopropylacetonitrile is C5H7N.
What is the molecular weight of Cyclopropylacetonitrile?
The molecular weight of Cyclopropylacetonitrile is 81.06 g/mol.
Where can I buy Cyclopropylacetonitrile?
You can request a quote for Cyclopropylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclopropylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for Cyclopropylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.