Trideca-2,12-dienenitrile
TL;DR: Trideca-2,12-dienenitrile (CAS 134849-13-1) is a chemical compound with molecular formula C13H21N and molecular weight 191.1674 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trideca-2,12-dienenitrile
Also Known As: 2,12-Tridecadienenitrile, trideca-2,12-dienenitrile
Technical Specifications
| Molecular Formula | C13H21N |
| Molecular Weight | 191.1674 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 9 |
| Exact Mass | 191.1674 Da |
| Heavy Atoms | 14 |
| Complexity | 195.0 |
| SMILES | C=CCCCCCCCCC=CC#N |
| InChIKey | HATXGQLRJIOVRF-UHFFFAOYSA-N |
Chemical Property Profile of Trideca-2,12-dienenitrile
Property Insights of Trideca-2,12-dienenitrile
The XLogP value of 5.1 indicates that Trideca-2,12-dienenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, Trideca-2,12-dienenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trideca-2,12-dienenitrile has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Trideca-2,12-dienenitrile?
The CAS number of Trideca-2,12-dienenitrile is 134849-13-1.
What is the molecular formula of Trideca-2,12-dienenitrile?
The molecular formula of Trideca-2,12-dienenitrile is C13H21N.
What is the molecular weight of Trideca-2,12-dienenitrile?
The molecular weight of Trideca-2,12-dienenitrile is 191.1674 g/mol.
Where can I buy Trideca-2,12-dienenitrile?
You can request a quote for Trideca-2,12-dienenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Trideca-2,12-dienenitrile?
Yes, CoreyChem provides custom synthesis services for Trideca-2,12-dienenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.