2,2-Dimethylhexanedinitrile
TL;DR: 2,2-Dimethylhexanedinitrile (CAS 29632-98-2) is a chemical compound with molecular formula C8H12N2 and molecular weight 136.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylhexanedinitrile
Also Known As: 2,2-dimethylhexanedinitrile, 2,2-dimethyladiponitrile, 2,2-Dimethyl-adiponitril, NCIOpen2_001963, Hexanedinitrile,2,2-dimethyl-
| Molecular Formula | C8H12N2 |
|---|---|
| Molecular Weight | 136.10 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 136.10005 |
| Heavy Atoms | 10 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 29632-98-2 |
|---|---|
| SMILES | CC(C)(CCCC#N)C#N |
| InChIKey | GBRNFMUKXFZFRJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dimethylhexanedinitrile (CAS 29632-98-2), with molecular formula C8H12N2 and molecular weight 136.10 g/mol. IUPAC: 2,2-dimethylhexanedinitrile.
Chemical Property Profile of 2,2-Dimethylhexanedinitrile
Property Insights of 2,2-Dimethylhexanedinitrile
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethylhexanedinitrile. With a topological polar surface area (TPSA) of 47.6 Ų, 2,2-Dimethylhexanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethylhexanedinitrile 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 2,2-Dimethylhexanedinitrile?
The CAS number of 2,2-Dimethylhexanedinitrile is 29632-98-2.
What is the molecular formula of 2,2-Dimethylhexanedinitrile?
The molecular formula of 2,2-Dimethylhexanedinitrile is C8H12N2.
What is the molecular weight of 2,2-Dimethylhexanedinitrile?
The molecular weight of 2,2-Dimethylhexanedinitrile is 136.10 g/mol.
Where can I buy 2,2-Dimethylhexanedinitrile?
You can request a quote for 2,2-Dimethylhexanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethylhexanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethylhexanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.