3-(Prop-2-yn-1-yloxy)propanenitrile
TL;DR: 3-(Prop-2-yn-1-yloxy)propanenitrile (CAS 1904-22-9) is a chemical compound with molecular formula C6H7NO and molecular weight 109.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-prop-2-ynoxypropanenitrile
Also Known As: 3-prop-2-ynoxypropanenitrile, Propanenitrile, 3-(2-propyn-1-yloxy)-, 3-(PROP-2-YNYLOXY)PROPANENITRILE, 3-[(Prop-2-yn-1-yl)oxy]propanenitrile, 3-(PROP-2-YN-1-YLOXY)PROPANENITRILE
| Molecular Formula | C6H7NO |
|---|---|
| Molecular Weight | 109.05 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 109.052765 |
| Heavy Atoms | 8 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 1904-22-9 |
|---|---|
| SMILES | C#CCOCCC#N |
| InChIKey | CRUYGVGJZNUPRI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Prop-2-yn-1-yloxy)propanenitrile (CAS 1904-22-9), with molecular formula C6H7NO and molecular weight 109.05 g/mol. IUPAC: 3-prop-2-ynoxypropanenitrile.
Chemical Property Profile of 3-(Prop-2-yn-1-yloxy)propanenitrile
Property Insights of 3-(Prop-2-yn-1-yloxy)propanenitrile
The XLogP value of -0.1 indicates that 3-(Prop-2-yn-1-yloxy)propanenitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 33.0 Ų, 3-(Prop-2-yn-1-yloxy)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Prop-2-yn-1-yloxy)propanenitrile 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 3-(Prop-2-yn-1-yloxy)propanenitrile?
The CAS number of 3-(Prop-2-yn-1-yloxy)propanenitrile is 1904-22-9.
What is the molecular formula of 3-(Prop-2-yn-1-yloxy)propanenitrile?
The molecular formula of 3-(Prop-2-yn-1-yloxy)propanenitrile is C6H7NO.
What is the molecular weight of 3-(Prop-2-yn-1-yloxy)propanenitrile?
The molecular weight of 3-(Prop-2-yn-1-yloxy)propanenitrile is 109.05 g/mol.
Where can I buy 3-(Prop-2-yn-1-yloxy)propanenitrile?
You can request a quote for 3-(Prop-2-yn-1-yloxy)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Prop-2-yn-1-yloxy)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Prop-2-yn-1-yloxy)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.