2-Methyldodecanonitrile
TL;DR: 2-Methyldodecanonitrile (CAS 65644-60-2) is a chemical compound with molecular formula C13H25N and molecular weight 195.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyldodecanenitrile
Also Known As: 2-Methyldodecanonitrile, 2-methyldodecanenitrile, 2-cyanododecane, Dodecanenitrile, 2-methyl-, alpha-Methyldodecanenitrile
| Molecular Formula | C13H25N |
|---|---|
| Molecular Weight | 195.20 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 9 |
| Exact Mass | 195.1987 |
| Heavy Atoms | 14 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 65644-60-2 |
|---|---|
| SMILES | CCCCCCCCCCC(C)C#N |
| InChIKey | ADJWCDXUXUVWNV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyldodecanonitrile (CAS 65644-60-2), with molecular formula C13H25N and molecular weight 195.20 g/mol. IUPAC: 2-methyldodecanenitrile.
Chemical Property Profile of 2-Methyldodecanonitrile
Property Insights of 2-Methyldodecanonitrile
The XLogP value of 5.7 indicates that 2-Methyldodecanonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 2-Methyldodecanonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyldodecanonitrile has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Methyldodecanonitrile?
The CAS number of 2-Methyldodecanonitrile is 65644-60-2.
What is the molecular formula of 2-Methyldodecanonitrile?
The molecular formula of 2-Methyldodecanonitrile is C13H25N.
What is the molecular weight of 2-Methyldodecanonitrile?
The molecular weight of 2-Methyldodecanonitrile is 195.20 g/mol.
Where can I buy 2-Methyldodecanonitrile?
You can request a quote for 2-Methyldodecanonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyldodecanonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyldodecanonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.