1-(2-Cyanoethyl)aziridine
TL;DR: 1-(2-Cyanoethyl)aziridine (CAS 1072-66-8) is a chemical compound with molecular formula C5H8N2 and molecular weight 96.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(aziridin-1-yl)propanenitrile
Also Known As: 1-Aziridinepropanenitrile, 1-(2-Cyanoethyl)aziridine, 1-Aziridinepropionitrile, 3-(aziridin-1-yl)propanenitrile, N-(2-Cyanoethyl)aziridine
| Molecular Formula | C5H8N2 |
|---|---|
| Molecular Weight | 96.07 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 26.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 96.06875 |
| Heavy Atoms | 7 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 1072-66-8 |
|---|---|
| SMILES | C1CN1CCC#N |
| InChIKey | OUZLDCCUOMNCON-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-Cyanoethyl)aziridine (CAS 1072-66-8), with molecular formula C5H8N2 and molecular weight 96.07 g/mol. IUPAC: 3-(aziridin-1-yl)propanenitrile.
Chemical Property Profile of 1-(2-Cyanoethyl)aziridine
Property Insights of 1-(2-Cyanoethyl)aziridine
The XLogP value of -0.3 indicates that 1-(2-Cyanoethyl)aziridine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 26.8 Ų, 1-(2-Cyanoethyl)aziridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Cyanoethyl)aziridine has 0 hydrogen bond donor(s) and 2 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 1-(2-Cyanoethyl)aziridine?
The CAS number of 1-(2-Cyanoethyl)aziridine is 1072-66-8.
What is the molecular formula of 1-(2-Cyanoethyl)aziridine?
The molecular formula of 1-(2-Cyanoethyl)aziridine is C5H8N2.
What is the molecular weight of 1-(2-Cyanoethyl)aziridine?
The molecular weight of 1-(2-Cyanoethyl)aziridine is 96.07 g/mol.
Where can I buy 1-(2-Cyanoethyl)aziridine?
You can request a quote for 1-(2-Cyanoethyl)aziridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Cyanoethyl)aziridine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Cyanoethyl)aziridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.