(3E)-3,12-Tridecadienenitrile
TL;DR: (3E)-3,12-Tridecadienenitrile (CAS 124071-42-7) 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.
(3E)-trideca-3,12-dienenitrile
Also Known As: 3,12-Tridecadienenitrile, Trideca-3,12-dien-nitrile, (3E)-3,12-Tridecadienenitrile, TRIDECA-3,12-DIENENITRILE, (3E)-trideca-3,12-dienenitrile
Technical Specifications
| Molecular Formula | C13H21N |
| Molecular Weight | 191.1674 g/mol |
| XLogP | 4.7 |
| 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=CCCCCCCC/C=C/CC#N |
| InChIKey | DBWSGRFEGVADLQ-ZHACJKMWSA-N |
Chemical Property Profile of (3E)-3,12-Tridecadienenitrile
Property Insights of (3E)-3,12-Tridecadienenitrile
The XLogP value of 4.7 indicates that (3E)-3,12-Tridecadienenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, (3E)-3,12-Tridecadienenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3E)-3,12-Tridecadienenitrile 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
What is the CAS number of (3E)-3,12-Tridecadienenitrile?
The CAS number of (3E)-3,12-Tridecadienenitrile is 124071-42-7.
What is the molecular formula of (3E)-3,12-Tridecadienenitrile?
The molecular formula of (3E)-3,12-Tridecadienenitrile is C13H21N.
What is the molecular weight of (3E)-3,12-Tridecadienenitrile?
The molecular weight of (3E)-3,12-Tridecadienenitrile is 191.1674 g/mol.
Where can I buy (3E)-3,12-Tridecadienenitrile?
You can request a quote for (3E)-3,12-Tridecadienenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3E)-3,12-Tridecadienenitrile?
Yes, CoreyChem provides custom synthesis services for (3E)-3,12-Tridecadienenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.